Труды сотрудников института физики

/ 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

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

/ 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 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

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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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

/ A. D. Vasiliev, N. N. Golovnev // J. Struct. Chem. - 2013. - Vol. 54, Is. 3. - P. 607-612, DOI 10.1134/S0022476613030219. - Cited References: 9 . - ISSN 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

Аннотация: New (C17H20FN3O3)(2)[CoCl4](2)center dot 3H(2)O (I) and C17H20FN3O3[CoCl4]center dot H2O (II) compounds, where C17H18FN3O3 is ciprofloxacin (CfH), are synthesized and their crystal structures are determined. Crystallographic data for I: a = 18.441(5) , b = 9.030(3) , c = 27.551(8) , V = 4588(4) (3), space group Pca2(1), Z = 4; for II: a = 9.305(3) , b = 9.885(3) , c = 12.999(4) , alpha = 82.782(4)A degrees, beta = 72.954(4)A degrees, gamma = 89.736(4)A degrees, V = 1133(1) (3), P-1 space group, Z = 2. Both structures contain CfH (3) (2+) ion pairs bonded by the pi-pi interaction. Additionally, in the crystal of I there is a stacking interaction between the pi clouds of aromatic rings and hydrogen atoms of the cyclopropyl group linking the pairs of molecules with each other. The structure of the centrosymmetric crystal of triclinic phase II is also formed from CfH (3) (2+) ion pairs bonded by the pi-pi interaction, which, in this case, are not independent because they are related by the symmetry center. Hydrogen bonds form a branched three-dimensional network linking the CfH (3) (2+) and CoCl (4) (2-) ions and water molecules.

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

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

/ 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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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

/ Н. Н. Головнёв, М. С. Молокеев // Журн. неорг. химии. - 2013. - Т. 58, № 10. - С. 1332-1335DOI 10.7868/S0044457X13100097 . -
Аннотация: Определена кристаллическая структура катена-бис(2-тиобарбитурато-O,S)диаквакадмия – (C8H10CdN4O6S2)n (I), [Cd(H2O)2(HTBA)2]n (C4H4N2O2S – 2-тиобарбитуровая кислота, Н2). Кристаллы I триклинные: a = 6.9433(3), b = 7.2257(3), c = 7.4047(3) A, = 88.559(2)°, = 75.346(2)°, = 111.687(1)°, V = 331.05(3) A3, пр. гр. P Z = 1. Ион Cd2+ координирован двумя атомами О молекул воды, двумя атомами О и двумя атомами S четырех ионов HTBA- по вершинам октаэдра. Октаэдры связаны мостиковыми ионами -O,S в бесконечные цепочки. Межмолекулярные водородные связи формируют бесконечные цепочки. Структура также стабилизирована -взаимодействием ионов НТВА-.

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Молокеев, Максим Сергеевич

/ 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 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

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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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

/ 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

/ 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
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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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

/ 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
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.

/ 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


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)

/ 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 0036-0236РУБ Chemistry, Inorganic & Nuclear

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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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

/ 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 0022-2860РУБ Chemistry, Physical

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

/ 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 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

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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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

/ N. N. Golovnev [et al.] // Polyhedron. - 2014. - Vol. 70. - P. 71-76, DOI 10.1016/j.poly.2013.12.021. - Cited References: 32 . - ISSN 0277-5387РУБ Chemistry, Inorganic & Nuclear + Crystallography

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.

/ 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 1573-8779РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

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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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

/ 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 0036-0236РУБ 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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[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

/ A. D. Vasil'ev, N. N. Golovnev, A. A. Leshok // Russ. J. Inorg. Chem. - 2012. - Vol. 57, Is. 4. - P. 525-527, DOI 10.1134/S0036023612040250. - Cited References: 12 . - ISSN 0036-0236РУБ Chemistry, Inorganic & Nuclear

Аннотация: A bismuth(III) complex of N-methylthiourea (Mtu, C2H6N2S) [Bi(C2H6N2S)6](ClO4)3 has been synthesized, and its crystal structure has been determined. The structure is built of octahedral Bi(Mtu) 6 3+ cations and ClO 4 − anions. Sulfur atoms are coordinated to bismuth(III) (at axis 2) at octahedron vertices (Bi-S, 2.7670(8), 2.8142(8), and 2.8315(8) Å); angles SBiS vary from 82.26(3)° to 96.13(2)°. The presence of amino groups and oxygen atoms in the structure results in the emergence of numerous hydrogen bonds (HBs). All H atoms of amino groups are involved in HBs; one of them is bound to the sulfur atom. One of the oxygen atoms of ClO 4 − anions does not participate in HBs.

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

Доп.точки доступа:
Golovnev, N. N.; Leshok, A. A.; Васильев, Александр Дмитриевич

/ N. N. Golovnev [et al.] // J. Mol. Struct. - 2014. - Vol. 1068. - P. 216-221, DOI 10.1016/j.molstruc.2014.04.024. - Cited References: 30. - V.V.A. is grateful to the Ministry of Education and Science of Russian Federation for the financial support of the investigation. . - ISSN 0022-2860. - ISSN 1872-8014
   Перевод заглавия: 5-(изопропилиден)-2-тиобарбитуровая кислота: Синтез, кристаллическая структура, термическая стабильность и ИК характеризацияРУБ Chemistry, Physical

Аннотация: 5-(Isopropylidene)-2-thiobarbituric acid (1), C7H8N2O2S, has been crystallized by reacting 2-thiobarbituric acid with excessing acetone for 5–6 days under ambient conditions. The pale yellow crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compound crystallizes in the monoclinic system with a = 8.8268(19) Å, b = 12.044(3) Å, c = 8.0998(19) Å, β = 105.388(6)°, Z = 4, V = 830.2(3) Å3, space group P21/c. The geometric parameters of the heterocycle of the molecule 1 are similar to those found previously for the molecule of thionedicarbonyl tautomer in polymorphic modifications of 2-thiobarbituric acid. Infrared spectroscopy also evidences the thionedicarbonyl structure of the 1 heterocyclic ring. Intermolecular NH⋯O hydrogen bonds join the molecules in the chains along b axis. The 1 compound is thermally stable up to 230.0 °С and melts with decomposition at 261.4 °C. The results of mass spectrometric analysis are consistent with the structural parameters found by X-ray diffraction methods.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Krasnoyarsk Sci Ctr SD RAS, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Tarasova, L. S.; Atuchin, V. V.; Vladimirova, N. I.

/ 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 1531-8613РУБ Chemistry, Inorganic & Nuclear

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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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

/ N. N. Golovnev, M. S. Molokeev // Russ. J. Inorg. Chem. - 2014. - Vol. 59, Is. 2. - P. 72-78, DOI 10.1134/S0036023614020107. - Cited References: 15 . - ISSN 0036-0236. - ISSN 1531-8613РУБ Chemistry, Inorganic & Nuclear

Аннотация: The crystal structures of bis(2-thiobarbiturato-O)tetraaquamagnesium Mg(H2O)(4)(HTBA-O)(2) I and catena-[(mu(2)-2-thiobarbiturato-O,O)(2-thiobarbiturato-O)bis(mu(2)-aqua)diaquastrontium] monohydrate catena-[Sr(mu(2)-H2O)(2)(H2O)(2)(mu(2)-HTBA-O,O)(HBTA-O)] (n) center dot nH(2)O (II), where H(2)TBA is 2-thiobarbituric acid C4H4N2O2S, have been determined. Crystal data for a=6.7598(2) , b = 7.6060(2) , c = 8.5797(2) , alpha = 79.822(2)A degrees, beta = 76.622(1)A degrees, gamma = 69.124(1)A degrees, V = 398.82(2) (3), space group P , Z = 1; for II: a = 20.8499(4) , b = 19.2649(5) , c = 4.14007(9) , beta = 92.023(2)A degrees, V = 1661.91(7) (3), space group P2(1)/n, Z = 4. The Mg2+ ion in I is bonded to six O atoms of two HTBA(-) ions and four water molecules that form a nearly regular octahedron. Each Sr2+ ion in II is coordinated to three oxygen atoms of three HTBA(-) ions and six water molecules that form an almost ideal tricapped trigonal prism. These polyhedra share edges to form infinite chains. Intermolecular hydrogen bonds create layered structures of I and II.

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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