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    2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties / N. N. Golovnev [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 157
   Перевод заглавия: 2-тиобарбитуровые комплексы Ca(II): синтез, кристаллическая структура и термические свойства
Кл.слова (ненормированные):
calcium -- 2-thiobarbituric acid -- crystal structure -- thermal decomposition -- IR spectroscopy

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereschagin, S. N.; Верещагин, С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
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Головнёв, Николай Николаевич.
2-тиобарбитуровая кислота и ее комплексы с металлами: синтез, структура и свойства / Н. Н. Головнёв, М. С. Молокеев ; Сиб. федер. ун-т, Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск : СФУ, 2014. - 252 с. ; 251 с. - Библиогр.: 163 назв. - 500 экз. - 500 экз. - ISBN 978-5-7638-3080-4 : Б. ц.
Аннотация: Рассмотрены и сопоставлены данные по таутомерии, кислотно-основному равновесию в водном растворе, синтезу и структуре полиморфных кристаллических модификаций, спектроскопическим характеристикам 2-тиобарбитуровой кислоты. Дан обзор современного состояния в области синтеза и исследования строения 2-тиобарбитуратных комплексов s-, p- и d-металлов.

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Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Молокеев, Максим Сергеевич; Molokeev, M. S.; Golovnev N.N.; Сибирский федеральный университет; Российская академия наук; Сибирское отделение РАНИнститут физики им. Л.В. Киренского Сибирского отделения РАН
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    Golovnev, N. N.
    Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li-I and Na-I / N. Golovnev, M. S. Molokeev // Acta Crystallogr. C. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078. - Cited References: 26 . - ISSN 0108-2701
   Перевод заглавия: Мостиковое поведение аниона 2-тиобарбитурата в комплексах с Li(I) и Na(I)

РУБ Crystallography
Рубрики:
THIOBARBITURIC ACID
NETWORKS
Аннотация: The structures of the Li-I and Na-I salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H(2)TBA) have been studied. mu-Aqua-octaaquabis(mu-2-thiobarbiturato-kappa O-2:O')bis(2-thiobarbiturato-kappa O)tetralithium(I) dihydrate, [Li-4(C4H3N2O2S)(4)(H2O)(9)]center dot 2H(2)O, (I), crystallizes with four symmetry-independent four-coordinated Li-I cations and four independent HTBA(-) anions. The structure contains two structurally non-equivalent Li-I cations and two non-equivalent HTBA(-) anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between Li-I cations. Discrete [Li-4(HTBA)(4)(H2O)(9)]center dot 2H(2)O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[mu(2)-aqua-tetraaqua(mu(4)-2-thiobarbiturato-kappa O-4:O:S:S)(mu(2)-thiobarbiturato-kappa O-2:S)disodium(I)], [Na-2(C4H3N2O2S)(2)(H2O)(5)](n), (II), crystallizes with six-coordinated Na-I cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the mu(4)-HTBA(-) ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA(-) ligands integrate the chains to give a three-dimensional network.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
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    Calcium and strontium thiobarbiturates with discrete and polymeric structures / N. N. Golovnev [et al.] // J. Coordinat. Chem. - 2013. - Vol. 66. No. 23. - P. 4119–4130, DOI 10.1080/00958972.2013.860450 . - ISSN 4119-4130
   Перевод заглавия: Кальциевый и стронциевый тиобарбитураты с дискретной и полимерной структурами
Кл.слова (ненормированные):
Calcium -- 2-Thiobarbituric acid IR -- Crystal structure -- Thermal decomposition -- Strontium -- IR spectroscopy
Аннотация: Three new alkaline earth metal complexes, [Ca2(H2O)8(μ2-HTBA-O,O′)2(HTBA-O)2] (1), [Ca(H2O)5(HTBA-O)2]·2H2O (2), and [Sr(H2O)4(μ2-HTBA-O,S)2]n (3) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), were synthesized and characterized by FT-IR spectroscopy, TG-DSC, and single-crystal and powder X-ray diffraction analysis. The single-crystal X-ray diffraction data revealed that 1 and 2 are discrete structures, whereas 3 is a polymer. In 1 and 2, Ca2+ is seven-coordinate and forms a monocapped trigonal prism. In 1, the prisms are pairwise connected with the assistance of two [μ2-HTBA-O,O′]− ligands. In 3, Sr2+ is coordinated by four monodentate HTBA− via S or O donors and four waters, with the formation of a distorted square antiprism. The antiprisms are connected by μ2-O,S bridging HTBA−. Hydrogen bonding involving coordinated water and π–π interactions plays an important role in construction of the supramolecular 3-D structures in 1–3. Infrared spectroscopic data supported the structural data. The thermal stability of 1–3 decreases in the order 1 > 2 > 3. Dehydration of 1–3 was a multi-step process, followed by exothermic oxidative degradation of the 2-thiobarbiturate moiety between 290 and 800 °C.

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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia
LV Kirenskii Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia;

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, S. N.; Atuchin, V. V.
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    Vasiliev, A. D.
    Ciprofloxacinium malonate dihydrate: preparation, crystal structure, thermal stability / A. D. Vasiliev, N. N. Golovnev // J. Sib. Fed. Univ. Chem. - 2013. - Vol. 6, Is. 2. - P. 107-113 ; Журн. СФУ. Сер. "Химия"
   Перевод заглавия: Малонат дигидрат ципрофлоксацина: приготовление, кристаллическая структура, тепловая стабильность
Аннотация: Ciprofloxacinium malonate dihydrate (I) , C 17 H 19 FN 3 O 3 ∙C 3 H 3 O 4 ∙H 2 O, (C 17 H 18 FN 3 O 3 – ciprofloxacin, CfH; C 3 H 4 O 4 − malonic acid) has been crystallized from the mutual solution of malonic acid and ciprofloxacin in ambient conditions. It has improved aqueous solubility against the ciprofloxacin. The colourless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry and thermogravimetry. The obtained compound can be considered as a salt with ciprofloxacinium in the role of a cation and malonate as an anion. The compound is crystallized in the triclinic lattice with a = 7.283(2), b = 10.090(3), c = 15.104(5)Å, α = 102.711(4), β = 103.328(4), γ = 94.261(4)°, Z = 2, V = 1044.5(6)Å , S.G. P 1 . The crystal structure determination reveals the importance of inter-and intramolecular interactions in the crystal formation. Thermal behavior and solubility of I provided complementary evidences of salt formation.

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Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич

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Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2·2Н2О and the complexes M(HTBA)2(H2O)2 (M = Ni, Co, Fe) / N. N. Golovnev [et al.] // Polyhedron. - 2014. - Vol. 70. - P. 71-76, DOI 10.1016/j.poly.2013.12.021. - Cited References: 32 . - ISSN 0277-5387

РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-THIOBARBITURIC ACID
   THIOBARBITURIC ACID
   COLLECTION
   POLYMERS
Кл.слова (ненормированные):
2-Thiobarbiturate complexes -- 3D elements -- IR spectra -- Structure -- Synthesis -- Thermal stability
Аннотация: Four new compounds, the discrete complex [Ni(H2O) 6](HTBA)2 .2H2O (1) and the polymers Ni(H2O)2(HTBA-O,S)2 (2), Co(H 2O)2(HTBA-O,S)2 (3) and Fe(H2O) 2(HTBA-O,S)2 (4) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), have been synthesized and structurally characterized. The structure of 1 has been solved by X-ray single-crystal diffraction analysis. The Ni(H2O) 6 2+ cation has an almost ideal octahedral geometry, and there is no coordination of Ni(II) by HTBA- in 1. Complexes 2-4 have been characterized by powder XRD, TG-DSC and FT-IR. In the isostructural polymers 2-4, the metals are six-coordinated, and the octahedrons are connected by μ2-O,S bridging ligands. Each of the M(II) ions is surrounded by two water molecules, two O-coordinated HTBA- ions and two S-coordinated HTBA- ions, with all pairs being in trans-positions. Hydrogen bonding and π-π interactions play an important role for the construction of the supramolecular 3D structures of 2-4. The formation of the complexes has been evidenced by infrared spectroscopy. The thermal decomposition of 2-4 under oxidative conditions has been divided into three major stages: dehydration, oxidative degradation of the organic moiety and transformation of the inorganic residue. © 2013 Elsevier Ltd. All rights reserved.

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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Tomsk 634050, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, S. N.; Atuchin, V. V.; Sidorenko, M. Y.; Dmitrushkov, M. S.
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Vasiliev, A. D.
Crystal structure of bis(alpha,alpha'-dithio-bis(formamidinium)) bis(mu(2)-chloro)hexachlorodimercurate(II) / A. D. Vasiliev, N. N. Golovnev // Russ. J. Inorg. Chem. - 2013. - Vol. 58, Is. 11. - P. 1298-1301, DOI 10.1134/S0036023613110235. - Cited References: 11 . - ISSN 0036-0236

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
CHLORIDE
Аннотация: The crystal and molecular structure of bis(alpha,alpha'-dithio-bis(formamidinium)) bis(mu(2)-chloro)hexachlorodimercurate(II) C4H16Hg2Cl8N8S4 (I), where alpha,alpha'-dithio-bis(formamidine) is C2H6N4S2, was solved. Crystals are monoclinic, a = 8.6417(6) , b = 14.648(1) , c = 10.2111(8) , beta = 104.949(1)A degrees, V = 1248.8(2) (3), space group P2(1)/n, Z = 4. The crystal structure is built of HgCl (4) (2-) ions linked via inversion centers into [Hg2Cl8](4-) pairs and C2H8N4S (2) (2+) cations. [Hg2Cl8](4-) anions and C2H8N4S (2) (2+) cations form alternating layers linked by N-HaEuro broken vertical bar Cl hydrogen bonds into a framework structure.

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Публикация на русском языке Кристаллическая структура БИС(μ2-хлоро)гексахлоро-димеркурата(II) БИС(α,α'–дитио-БИС(формамидиниума). - [S. l. : s. n.]

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
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Golovnev, N. N.
Crystal structure of catena-(2-thiobarbiturato) dithallium(I) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2014. - Vol. 55, Is. 1. - P. 125-129, DOI 10.1134/S002247661401020X. - Cited References: 12. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-924.2014.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629) . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-2-(thiobarbiturato)dithallium(I) -- crystal structure -- hydrogen bonds -- π-π interaction
Аннотация: By powder X-ray diffraction the crystal structure of catena-(2-thiobarbiturato)dithallium(I) C4H2N2O2STl2(C4H4N2O2S is 2-thiobarbituric acid, Н2ТBA), Tl2TBA, is determined. Crystallographic data for Tl2TBA are as follows: a = 15.1039(3) Å, b = 12.0818(2) Å, c = 3.86455(6) Å, β = 97.203(1)°, V = 741.34(2) Å3, space group P21/n, Z = 4. There are two non-equivalent thallium atoms in the structure. The Tl1 polyhedron is a distorted trigonal prism due to the shortened Tl–S contact (3.634 Å), and the Tl2 polyhedron is a distorted square antiprism.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-2-тиобарбитурата диталлия(I) [Текст] / Н. Н. Головнёв, М. С. Молокеев // Журн. структ. химии. - 2014. - Т. 55 № 1. - С. 130-134

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
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Golovnev, N. N.
Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium / N. N. Golovnev, M. S. Molokeev // Russ. J. Inorg. Chem. - 2013. - Vol. 58, Is. 10. - P. 1193-1196DOI 10.1134/S0036023613100094
Аннотация: The crystal structure of catena-bis(2-thiobarbiturato-O,S)diaquacadmium (C8H10CdN4O6S2) n (I), [Cd(H2O)2(HTBA)2] n (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) has been determined. The crystals of compound I are triclinic, a = 6.9433(3) Å, b = 7.2257(3) Å, c = 7.4047(3) Å, α = 88.559(2)°, β = 75.346(2)°, γ = 111.687(1)°, V = 331.05(3) Å3, space group P1¯ , Z = 1. The Cd2+ ion is coordinated to the two oxygen atoms of water molecules and the two oxygen and two sulfur atoms of four HTBA− ions at the vertices of an octahedron. Octahedra are linked by bridging μ2-HTBA−-O,S ions into infinite chains. Intermolecular hydrogen bonds form infinite chains. The structure is also stabilized by the π-π interaction of HTBA− ions.

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Публикация на русском языке Кристаллическая структура катена-бис(2-тиобарбитурато-O,S)диаквакадмия // Журнал неорганической химии : Издательство "Наука", 2013. - Т. 58, № 10. - С. 1332-1335

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
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10.

Golovnev, N. N.
Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2013. - Vol. 54, Is. 5. - P. 968-971, DOI 10.1134/S0022476613050193. - Cited References: 16 . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) -- crystal structure -- hydrogen bonds -- Pi-Pi interaction
Аннотация: The crystal structure of catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) C8H8N4O5S2Pb (C4H4N2O2S is 2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for catena-[Pb(H2O)(mu(2)-HTBA-O,S)(2)] are as follows: a = 6.5972(1) , b = 9.8917(2) , c = 10.0893(2) , alpha = 106.702(1)A degrees, beta = 93.395(2)A degrees, gamma = 107.48(1)A degrees, V = 593.82(2) (3), space group , Z = 2. The Pb2+ ion is linked with six monodentate HTBA(-) ligands through two O atoms and four S atoms and also connected with a water molecule. Additionally, there is a shortened Pb-S contact (3.622 ), given which the complex polyhedron represents a distorted square antiprism. Hydrogen bonds N-HaEuro broken vertical bar O and O-HaEuro broken vertical bar O form a branched three-dimensional network. The structure is also stabilized by the pi-pi interaction of heterocyclic HTBA(-) ions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-ди(2-тиобарбитурато-O,S)аквасвинца(II) / Н. Н. Головнёв // Журнал структурной химии. - 2013. - Т. 54, № 5. - С. 940-943

11.

Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate / N. N. Golovnev [et al.] // J. Struct. Chem. - 2013. - Vol. 54, Is. 2. - P. 377-382, DOI 10.1134/S0022476613020157. - Cited References: 17. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-4828.2012.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
COMPLEX
Кл.слова (ненормированные):
crystal structure -- enrofloxacinium cation -- tetrabromidodichloridostannate(IV) anion -- hydrogen bonds
Аннотация: A new compound EnrH(3)[SnBr3.46Cl2.54]center dot H2O, where EnrH (3) (2+) is the enrofloxacinium cation (C19H24FN3O (3) (2+) ), is synthesized and its crystal and molecular structure is determined. Crystallographic data for enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate are as follows: a = 17.1262(19) , b = 10.3435(11) , c = 17.2582(19) , beta = 119.203(1)A degrees, V = 2640.5(4) (3), space group P2(1)/c, Z = 4. Hydrogen bonds form a branched three-dimensional network linking EnrH (3) (2+) , [SnBr3.46Cl2.54](2-), and water molecules. The structure is also stabilized by the pi-pi interaction of EnrH (3) (2+) aromatic rings.

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Публикация на русском языке Кристаллическая структура моногидрата тетрабромидодихлоридостанната(IV) энрофлоксациния // Журнал структурной химии. - 2013. - Т. 54, № 2. - С. 325-330

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovneva, I. I.; Головнева И.И.; Glushchenko, G. A.; Глущенко, Гарий Анатольевич
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12.

Vasiliev, A. D.
Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate / A. D. Vasiliev, N. N. Golovnev // Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P. 161-164, DOI 10.1134/S1070328413020097 . - ISSN 1070-3284
Кл.слова (ненормированные):
Crystallographic data -- Hydrogen atoms -- Hydrogen bond networks -- IR and Raman spectroscopy -- Space Groups -- Sulfur atoms -- Atoms -- Complex networks -- Hydrogen bonds -- Raman spectroscopy -- Single crystals -- X ray diffraction -- Thioureas
Аннотация: The complex[Bi2(Tu)6(ClO4) 4](ClO4)2 (I) (Tu is thiourea) was synthesized and studied by X-ray diffraction. The crystallographic data of I are: a = 14.205(1) A, b = 13.083(1) A, c = 22.078(2) A, ? = 96.182(1), V = 4079.1(7) A3, space group C2/c, Z = 4. The molecule is located on a twofold axis and consists of the binuclear cation [Bi2(Tu)6(ClO4)4]2+ and two outer-sphere anions Cl 4 -. The Bi-S bond lengths are 2.61-2.62 A. For each terminal and bridging ClO 4 - ion, one Bi-O distance varies from 2.744 to 3.048 3.269 structure contains a hydrogen bond network involving all hydrogen atoms. The IR and Raman spectroscopy data confirm the thiourea coordination by the sulfur atom. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура диперхлората гексакис(тиомоче-вина)-бис((μ-перхлорато-О,О′)-(перхлрато-О)-висмута) [Текст] / А. Д. Васильев, Н. Н. Головнёв // Координ. химия. - 2013. - Т. 39 № 2. - С. 71-74

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
}
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13.

Vasil'ev, A. D.
Crystal structure of pefloxancindium tetrabromidozinkate C17H22FN3O32+ • ZnBr42- / A. D. Vasil'ev, N. N. Golovnev // Russ. J. Inorg. Chem. - 2012. - Vol. 57, Is. 2. - P. 248-251, DOI 10.1134/S0036023612020271. - Cited References: 7 . - ISSN 0036-0236

РУБ Chemistry, Inorganic & Nuclear

Аннотация: A new compound, namely pefloxancindium tetrabromidozincateC17H22FN3O 3 2+ · ZnBr 4 2+ where C17H20FN3O3 is 1-ethyl-N-methyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-3-quinoline carboxylic acid (PefH, pefloxacin), has been synthesized and its crystal and molecular structure has been solved. It contains PefH 3 2+ and ZnBr 4 2− ions. The latter is a slightly distorted tetrahedron. The supramolecular architecture of a crystal has been analyzed.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура тетрабромидоцинката пефлоксациндиума C17H22Fn3O32+ · ZnBr42- [Текст] / А. Д. Васильев, Н. Н. Головнёв // Журн. неорг. химии : Наука, 2012. - Т. 57 № 2. - С. 293-296

Держатели документа:
[Vasil'ev, A. D.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660074, Russia
[Vasil'ev, A. D., Golovnev, N. N.] Siberian Fed Univ, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
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14.

Golovnev, N. N.
Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III) [Text] / N. N. Golovnev, M. S. Molokeev // Russ. J. Coord. Chem. - 2014. - Vol. 40, Is. 9. - P. 648-652, DOI 10.1134/S1070328414090036. - Cited References: 17. - This work was supported in the framework of the state program of the Ministry of Education and Science of the Russian Federation for research works of the Siberian Federal University in 2014. . - ISSN 1070-3284. - ISSN 1608-3318

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
COMPLEXES
2-THIOBARBITURATE
Аннотация: Complex [Eu2(HTBA)6(H2O)6] n (I), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) Å3, space group P2/n, Z = 2. All three independent ligands HTBA− are coordinated to Eu3+ through oxygen atoms. Six HTBA− ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu3+ ions. The second Eu3+ ion is bound to four bridging HTBA− ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA− ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA−.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура полимерного гексааква-гексакис(2-тиобарбитурато)-диевропия(III) [Текст] / Н. Н. Головнев, М. С. Молокеев // Координ. химия : Наука, 2014. - Т. 40 № 9. - С. 564-568

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич; Ministry of Education and Science of the Russian Federation
}
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15.

Golovnev, N. N.
Crystal structure of potassium 2-thiobarbiturate / N. N. Golovnev, M. S. Molokeev, M. Y. Belash // J. Struct. Chem. - 2013. - Vol. 54, Is. 3. - P. 566-570, DOI 10.1134/S0022476613030141. - Cited References: 18. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-4828.2012.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
ACID
Кл.слова (ненормированные):
crystal structure -- potassium thiobarbiturate -- hydrogen bonds -- pi-pi interaction
Аннотация: The crystal and molecular structure of potassium thiobarbiturate C4H3KN2O2S (C4H4N2O2S-2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for KHTBA are as follows: a = 11.2317(17) , b = 3.8687(6) , c = 14.557(2) , beta = 97.448(4)A degrees, V = 627.18(17) (3), space group P2/c, Z = 4. Each potassium ion is linked with four oxygen atoms and two S atoms forming a distorted octahedron. N-HaEuro broken vertical bar O and C-HaEuro broken vertical bar S hydrogen bonds form a branched three-dimensional network. The structure is also stabilized by the pi-pi interaction of heterocyclic HTBA(-) ions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура 2-тиобарбитурата калия / Н. Н. Головнёв // Журнал структурной химии : ФГУП "Издательство Сибирского отделения Российской акдемии наук", 2013. - Т. 54, № 3. - С. 512-516. - ISSN 0136-7463

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Inst Phys, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Div, Krasnoyarsk, Russia;

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Belash, M. Y.; Головнёв, Николай Николаевич
}
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16.

    Crystal structure, spectroscopic and thermal properties of the coordination compounds M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+ / M. S. Molokeev [et al.] // Polyhedron. - 2015. - Vol. 98. - P. 113-119, DOI 10.1016/j.poly.2015.05.048. - Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation. . - ISSN 0277-5387
   Перевод заглавия: Кристаллическая структура, спектроскопические и тепловые свойства координационных соединений M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+

РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-THIOBARBITURIC ACID
   THIOBARBITURIC ACID
   1,3-DIETHYL-2-THIOBARBITURIC ACID
   HYDROGEN-BOND
   COMPLEXES
   DIFFRACTION
   CHEMISTRY
   NETWORKS
   LIGAND
   SERIES
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Alkali ion thallium(I) and ammonium cations -- Coordination compounds -- Thermal analysis -- X-ray diffraction
Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.

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Держатели документа:
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, SB RAS, bld. 24 Akademgorodok 50, Krasnoyarsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Головнёв, Николай Николаевич; Vereshchagin, S. N.; Верещагин С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич
}
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17.

Golovnev, N. N.
Crystal structures of cesium and rubidium 2-thiobarbiturates / N. N. Golovnev, M. S. Molokeev // Russ. J. Inorg. Chem. - 2014. - Vol. 59, Is. 9. - P. 943-946, DOI 10.1134/S003602361409006X. - Cited References: 13 . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
ACID
COLLECTION
Аннотация: The crystal structures of cesium 2-thiobarbiturate C4H3CsN2O2S (I) and rubidium 2-thiobarbiturate C4H3N2O2RbS (II) (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) have been determined. Isostructural crystals are monoclinic; a = 7.9609(3) Å,b = 11.8474(3) Å, c = 7.7317(2) Å, β = 101.285(3)°, V = 715.13(4) Å3, space group C2/m, Z = 4 for I and a = 7.6369(2) Å, b = 11.7690(3) Å, c = 7.5568(2) Å, β = 100.212(1)°, V = 668.44(3) Å3, space group C2/m, Z = 4 for II. Each metal ion in complexes I and II is bonded to four oxygen atoms and two sulfur atoms at the vertices of a six-vertex polyhedron. N-H…O hydrogen bonds link HTBA-ions into chains. The structure is also stabilized by the “head-to-tail” π-π interaction of HTBA-ions.

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Публикация на русском языке

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
}
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18.

Golovnev, N. N.
Enrofloxacinium citrate monohydrate: Preparation, crystal structure, thermal stability and IR-characterization / N. N. Golovnev, A. D. Vasiliev, S. D. Kirik // J. Mol. Struct. - 2012. - Vol. 1021. - P. 112-117, DOI 10.1016/j.molstruc.2012.04.059. - Cited References: 22. - The authors are grateful to the Ministry of Education and Science (Government Contracts # 02.740.11.0629) for the financial support of the investigation. . - ISSN 0022-2860

РУБ Chemistry, Physical
Рубрики:
COCRYSTAL
   ANTIBACTERIAL
   BEHAVIOR
   STATE
   ACID
Кл.слова (ненормированные):
Enrofloxacin -- Citric acid -- Crystal structure -- IR spectra -- Thermal analysis
Аннотация: Enrofloxacinium citrate monohydrate (I), C19H 23FN3O3+В·C6H7O7- В·H2O, [C19H22FN3O3 - enrofloxacin, EnrH] has been crystallized from the mutual solution of citric acid and enrofloxacin in ambient conditions. The colorless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The obtained compound can be considered as a salt with enrofloxacinium in the role of a cation and citrate as an anion. The ions ratio equals to 1:1. The compound crystallizes in the triclinic lattice with a = 9.0489(8) A, b = 9.6531(8) A, c = 14.913(1) A, ? = 98.813(1)В°, ? = 92.029(1)В°, ? = 91.013(1)В°, Z = 2, V = 1286.1(2) A3, S.G. P1?. The crystal structure determination reveals the importance of inter- and intramolecular interactions in the crystal formation. The EnrH2+andH3Cit- molecular ions are packed in alternating layers with water molecules inserted into the citrate layers. A citrate ion in the layer is linked via H-bondings with two adjacent ones and three water molecules. Enrofloxacinium cations are packaged by means of a benched mode and every cation is linked by three intermolecular thymus type H-bondings with nitrogens of adjacent cations and by two links with the oxygen of the citrate ions. The infrared spectra gave the evidence of H-bonding formation in the obtained salt. The ?-stacking interactions are observed between the aromatic cycles of the adjacent cations which are located in an antiparallel style in a layer. В© 2012 Elsevier B.V. All rights reserved.

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Держатели документа:
Siberian Federal University, Svobodny Ave. 79, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry and Chemical Technology SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kirik, S. D.; Головнёв, Николай Николаевич
}
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19.

    Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ / N. N. Golovnev [et al.] // J. Coord. Chem. - 2016. - Vol. 69, Is. 6. - P. 957-965, DOI 10.1080/00958972.2016.1149168. - Cited References: 42. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation. . - ISSN 0095-8972
   Перевод заглавия: Влияние алкильных заместителей в 1,3-диэтил-2-2тиобарбитуровой кислоты на координационное окружение в M(H2O)2(1,3-диэтил-2-тиобарбутурат)2 M = Ca2+, Sr2+

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
CRYSTAL-STRUCTURE
   2-THIOBARBITURIC ACID
   STRUCTURAL-CHARACTERIZATION
   THIOBARBITURIC ACID
   THERMAL-PROPERTIES
   HYDROGEN-BOND
   COMPLEXES
   DIFFRACTION
   NETWORKS
   POLYMERS
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- alkaline earth metals -- coordination compound -- X-ray diffraction -- thermal analysis
Аннотация: Two new isostructural complexes, [Ca(H2O)2(μ2-Detba-O,O′)2]n (1) and [Sr(H2O)2(μ2-Detba-O,O′)2]n (2) (HDetba = 1,3-diethyl-2-thiobarbituric acid), were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC, FT-IR, and emission spectroscopy. The single-crystal X-ray diffraction data revealed that 1 and 2 are polymeric where M2+ (M = Ca, Sr) is a six-coordinate octahedral binding four Detba− ions and two water molecules. The octahedra are linked through bridging Detba− ions forming a 2-D layer. Two intermolecular hydrogen bonds O–H…S in the crystal form a 3-D net. The comparison of M(Detba)2 and M(Htba)2 (H2tba = 2-thiobarbituric acid) structures showed that the coordination number of metals in M(Detba)2 does not exceed six and there are no π–π interactions, unlike compounds with Htba−; Detba− ions are only bridges in HDetba coordination compounds. Thermal decomposition of 1 and 2 includes dehydration, which mainly ends at 200 °C, and organic ligand oxidation at 300–350 °C with a release of CO2, SO2, H2O, NH3, and isocyanate. Upon excitation at 220 nm, 1 and 2 exhibit an intense emission maximum at 557 nm.

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Держатели документа:
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Samoilo, A. S.; Atuchin, V. V.
}
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20.

Vasil'ev, A. D.
Sparfloxacindium tetrabromidocuprate(II) monohydrate crystal structure / A. D. Vasil'ev, N. N. Golovnev // Russ. J. Inorg. Chem. - 2014. - Vol. 59, Is. 4. - P. 322-325, DOI 10.1134/S0036023614040214. - Cited References: 18 . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
COMPLEXES
QUINOLONE
Аннотация: Structure solution has been carried out for a compound containing doubly charged sparfloxacindium cation, namely ((C19H24F2N4O3)[CuBr4] · H2O (I), where C19H22F2N4O3 is sparfloxacin. The crystals of I are orthorhombic with a = 14.533(4) Å, b = 12.557(4) Å, c = 29.370(9) Å, V = 2360(3) Å3, space group Pbca, Z = 8. In compound I, unlike in similar compounds of other fluoroquinolones, the second proton is attached to the sparfloxacin through the amino nitrogen atom instead of being attached through the ketone oxygen atom. This specific protonation feature of SfH is manifested in the specifics of supramolecular organization of I.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура моногидрата тетрабромидокупрата(II) спарфлоксациндиума [Текст] / А. Д. Васильев, Н. Н. Головнев // Ж. неорган. химии : Наука, 2014. - Т. 59 №4. - С. 477-480

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
}
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