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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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    Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties / L. A. Solovyov [et al.] // J. Coord. Chem. - 2017. - Vol. 70, Is. 12. - P. 1984-1993, DOI 10.1080/00958972.2017.1319943. - Cited References: 21 . - ISSN 0095-8972
   Перевод заглавия: Бис(μ3-барбитурат-O,O,O')-(μ2-аква)-аква-бария(II): Кристаллическая структура, спектроскопические и термические свойства
Кл.слова (ненормированные):
Barbituric acid -- barium -- coordination compound -- X-ray diffraction -- infrared spectroscopy -- thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.

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Держатели документа:
Institute of Chemistry and Chemical Technology, SB RAS, FRC “Krasnoyarsk Science Center SB RAS”, Krasnoyarsk, Russian Federation
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Solovyov, L. A.; Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.
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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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    Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability / N. N. Golovnev [et al.] // Polyhedron. - 2017. - Vol. 134. - P. 120-125, DOI 10.1016/j.poly.2017.06.002. - Cited References: 25 . - ISSN 0277-5387
   Перевод заглавия: Координационные эффекты в гидратах 1,3-диэтил-2-тиобарбитуратов марганца(II) и их термическая стабильность
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Complexes -- X-ray diffraction -- Infrared spectroscopy -- Manganese(II)
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.

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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 Favorsky, Irkutsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Atuchin, V. V.
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Golovnev, N. N.
Crystal Structure and Properties of Levofloxacinium 2-Thiobarbiturate Trihydrate / N. N. Golovnev, M. S. Molokeev, M. K. Lesnikov // J. Struct. Chem. - 2018. - Vol. 59, Is. 3. - P. 646-651, DOI 10.1134/S0022476618030204. - Cited References: 20. - The work was performed within the State Task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh). . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CIPROFLOXACIN
   MONOHYDRATE
   QUINOLONE
   ACID
Кл.слова (ненормированные):
levofloxacin -- 2-thiobarbituric acid -- salt -- crystal structure -- absolute -- structure -- thermal stability -- IR spectrum
Аннотация: The structure of levofloxacinium 2-thiobarbiturate trihydrate LevoH 2 + Htba–·3H2O (I) (LevoH is levofloxacin, H2tba is 2-thiobarbituric acid) is determined (CIF file CCDC No. 1547466); its thermal decomposition and IR spectrum are studied. The crystals of I are triclinic: a = 8.670(1) Å, b = 9.605(1) Å, c = 15.786(2) Å, α = 89.144(5)°, β = 88.279(5)°, γ = 76.068(5)°, V = 1275.4(3) Å3, space group P1, Z = 2. The unit cell of I contains two LevoH 2 + ions, two Htba– ions, and six H2O molecules. The absolute structure of the crystal and the configuration of the chiral center in a levofloxacin molecule S are determined. Experiments for generating the second optical harmonics gave a positive result. Intermolecular hydrogen bonds (HBs) N–H···O and O–H···O in I form a bilayer system along the ab diagonal with hydrophilic moieties within a layer and hydrophobic moieties directed outward. The structure is stabilized by multiple HBs and the π–π interaction between the Htba–and LevoH 2 + ions and between the LevoH 2 + ions.

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Публикация на русском языке Головнёв Н. Н. Кристаллическая структура и свойства тригидрата 2-тиобарбитурата левофлоксациния [Текст] / Н. Н. Головнёв, М. С. Молокеев, М. К. Лесников // Журн. структ. химии. - 2018. - Т. 59 № 3. - С. 668-673

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
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Crystal structure and properties of polymeric hexaaqua-hexakis-(2-thiobarbiturato)-disamarium(III) / N. N. Golovnev [et al.] // J. Struct. Chem. - 2017. - Vol. 58, Is. 3. - P. 539-543, DOI 10.1134/S0022476617030155. - Cited References: 17 . - ISSN 0022-4766
Кл.слова (ненормированные):
structure -- synthesis -- complex -- 2-thiobarbituric acid -- samarium(III) -- thermal decomposition -- IR spectrum
Аннотация: The structure (CIF file CCDC No. 1401886) of the hexaaqua-hexakis(2-thiobarbiturato)-disamarium [Sm2(H2O)6(HTBA)6]n polymeric complex (I), where H2ТВА is 2-thiobarbituric acid, is determined; its thermal decomposition and IR spectrum are studied. The crystals of I are monoclinic: a = 14.072(1) Å, b = 10.0842(6) Å, c = 15.323(1) Å, β = 110.408(2)°, V = 2037.9(2) Å3, space group P2/n, Z = 2. All three independent thiobarbiturate anions HTBA– coordinate to Sm3+ through oxygen atoms. To one of independent Sm3+ ions six (two terminal and four bridging) HTBA– ions and two water molecules are coordinated; the second is bonded with four bridging HTBA– and four water molecules, forming square antiprisms. The bridging HТВА–anions arrange antiprisms in layers. The structure is stabilized by hydrogen bonds and a π–π interaction between the HТВА– ions. The topology of the polymer network of I is analyzed.

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Публикация на русском языке Кристаллическая структура и свойства полимерного гексааква-гексакис(2-тиобарбитурато)-дисамария(III) [Текст] / Н. Н. Головнев [и др.] // Журн. структ. химии. - 2017. - Т. 58 № 3. - С. 567-571

Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Krasnoyarsk State Agrarian University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Vereshchagin, S. N.; Golovneva, I. I.
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10.

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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