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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasil'ev A. D., Molokeev M. S., Golovnev N.N., Churilov G. N.
Заглавие : Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride
Место публикации : J. Struct. Chem. - 2005. - Vol. 46, Is. 2. - P.363-370. - ISSN 0022-4766, DOI 10.1007/s10947-006-0055-8
Примечания : Cited Reference Count: 16
Аннотация: Synthesis of a complex formed by ciprofloxacin (cfH) and copper(II) chloride is described; its crystal structure is reported and analyzed in comparison to related compounds. The obtained compound (ctH(3))CuCl4 center dot H2O (cfH(3)(2+) - double protonated cfH molecule) crystallizes as platelets of P2(1)/c symmetry having the unit cell parameters a = 13.491 (1) angstrom, b = 11.0459(7) angstrom, c = 16.299(1) angstrom; beta = 1.392(7)degrees. Carbonyl oxygen O(1) is protonated, and hydrogen atom combined with it forms an intramolecular hydrogen bond with carboxylic O(2) oxygen (O(1) center dot center dot center dot O(2) = 2.642(5) angstrom). Terminal nitrogen atom N(3) of the piperazinyl group is also protonated, and two its hydrogen atoms participate in hydrogen bonds of N-H center dot center dot center dot Cl type. The structure also has hydrogen bonds O-H center dot center dot center dot O, O-H... Cl with the participation of water molecules which occupy hydrophilic channels. Molecular ions cfH(3)(2+), make couples with intrapair pi center dot center dot center dot pi interactions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Vasiliev A. D., Kirik S. D.
Заглавие : Enrofloxacinium citrate monohydrate: Preparation, crystal structure, thermal stability and IR-characterization
Место публикации : J. Mol. Struct.: Elsevier Science BV, 2012. - Vol. 1021. - P.112-117. - ISSN 0022-2860, DOI 10.1016/j.molstruc.2012.04.059
Примечания : 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.
Предметные рубрики: COCRYSTAL
ANTIBACTERIAL
BEHAVIOR
STATE
ACID
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasil'ev A. D., Golovnev N. N., Leshok A. A.
Заглавие : Crystal structure of hexakis-(N-methylthiourea) bismuth(III) triperchlorate
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 57, Is. 4. - P.525-527. - ISSN 0036-0236, DOI 10.1134/S0036023612040250
Примечания : Cited References: 12
Предметные рубрики: THIOUREAS
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasil'ev A. D., Golovnev N. N.
Заглавие : Crystal structure of pefloxancindium tetrabromidozinkate C17H22FN3O32+ • ZnBr42-
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 57, Is. 2. - P.248-251. - ISSN 0036-0236, DOI 10.1134/S0036023612020271
Примечания : Cited References: 7
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereschagin S. N., Atuchin V. V.
Заглавие : 2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties
Коллективы : International Conference on the Advancement of Materials and Nanotechnology (3; 2013 ; Nov. ; 19-22; Penang, Malaysia)
Место публикации : 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013): Programme and abstracts book. - 2013. - P.157
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid--crystal structure--thermal decomposition--ir spectroscopy
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V.
Заглавие : Calcium and strontium thiobarbiturates with discrete and polymeric structures
Место публикации : J. Coordinat. Chem.: Taylor & Francis, 2013. - Vol. 66. No. 23. - P.4119–4130. - ISSN 4119-4130, DOI 10.1080/00958972.2013.860450
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II)
Место публикации : J. Struct. Chem.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2013. - Vol. 54, Is. 5. - P.968-971. - ISSN 0022-4766, DOI 10.1134/S0022476613050193
Примечания : Cited References: 16
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
COLLECTION
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal structure of bis(alpha,alpha'-dithio-bis(formamidinium)) bis(mu(2)-chloro)hexachlorodimercurate(II)
Место публикации : Russ. J. Inorg. Chem.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2013. - Vol. 58, Is. 11. - P.1298-1301. - ISSN 0036-0236, DOI 10.1134/S0036023613110235
Примечания : Cited References: 11
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal structure of two hydrate phases of ciprofloxacindi-um tetrachloridocobaltate(II)
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 54, Is. 3. - P.607-612. - ISSN 0022-4766, DOI 10.1134/S0022476613030219
Примечания : Cited References: 9
Ключевые слова (''Своб.индексиров.''): ciprofloxacindi-um tetrachloridocobaltate(ii)--crystal structure--hydrogen bonds--pi-pi interaction
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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium
Место публикации : Russ. J. Inorg. Chem.: Springer, 2013. - Vol. 58, Is. 10. - P.1193-1196. - DOI 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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li-I and Na-I
Место публикации : Acta Crystallogr. C: Wiley-Blackwell, 2013. - Vol. 69, Pt. 7. - P.704-708. - ISSN 0108-2701, DOI 10.1107/S0108270113014078
Примечания : Cited References: 26
Предметные 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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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Belash M. Y.
Заглавие : Crystal structure of potassium 2-thiobarbiturate
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 54, Is. 3. - P.566-570. - ISSN 0022-4766, DOI 10.1134/S0022476613030141
Примечания : 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).
Предметные рубрики: ACID
Ключевые слова (''Своб.индексиров.''): 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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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Ciprofloxacinium malonate dihydrate: preparation, crystal structure, thermal stability
Место публикации : J. Sib. Fed. Univ. Chem. - 2013. - Vol. 6, Is. 2. - P.107-113; Журн. СФУ. Сер. "Химия"
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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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate
Место публикации : Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P.161-164. - ISSN 1070-3284, DOI 10.1134/S1070328413020097
Ключевые слова (''Своб.индексиров.''): 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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S.
Заглавие : Кристаллическая структура катена-бис(2-тиобарбитурато-O,S)диаквакадмия
Место публикации : Журн. неорг. химии: Наука, 2013. - Т. 58, № 10. - С. 1332-1335. - DOI 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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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I., Glushchenko G. A.
Заглавие : Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate
Место публикации : J. Struct. Chem.: SPRINGER, 2013. - Vol. 54, Is. 2. - P.377-382. - ISSN 0022-4766, DOI 10.1134/S0022476613020157
Примечания : 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).
Предметные рубрики: COMPLEX
Ключевые слова (''Своб.индексиров.''): 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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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structures of cesium and rubidium 2-thiobarbiturates
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 59, Is. 9. - P.943-946. - ISSN 0036-0236, DOI 10.1134/S003602361409006X. - ISSN 1531-8613
Примечания : Cited References: 13
Предметные 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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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Головнёв, Николай Николаевич, Молокеев, Максим Сергеевич
Заглавие : Кристаллическая структура 2-тиобарбитуратов цезия и рубидия
Место публикации : Журн. неорг. химии: Наука, 2014. - Т. 59, № 9. - С. 1174–1177. - ISSN 0044-457X, DOI 10.7868/S0044457X14090062
Примечания : Библиогр.: 13 назв.
Аннотация: Определены кристаллические структуры 2-тиобарбитурата цезия C4H3CsN2O2S (1) и 2-тиобарбитурата рубидия C4H3N2O2RbS (2) (C4H4N2O2S – 2-тиобарбитуровая кислота, Н2ТВА). Изоструктурные кристаллы моноклинные, 1: a = 7.9609(3), b = 11.8474(3), с = 7.7317(2) Å, β = 101.285(3)°, V = 715.13(4) Å3, пр. гр. C2/m, Z = 4; 2: a = 7.6369(2), b = 11.7690(3), с = 7.5568(2) Å, β = 100.212(1)°, V = 668.44(3) Å3, пр. гр. C2/m, Z = 4. В комплексах 1, 2 каждый ион металла связан с 4 атомами O и 2 атомами S по вершинам шестивершинного полиэдра. Водородные связи N–H···O объединяют ионы НТВА– в цепочки. Структура также стабилизирована π–π взаимодействием ионов НТВА– типа “голова к хвосту”.
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19.

Вид документа : Однотомное издание
Шифр издания :
Автор(ы) : Головнёв, Николай Николаевич, Молокеев, Максим Сергеевич, Молокеев, Максим Сергеевич
Заглавие : 2-тиобарбитуровая кислота и ее комплексы с металлами: синтез, структура и свойства
Выходные данные : Красноярск: СФУ, 2014
Колич.характеристики :252 с ; 251 с
Коллективы : Сибирский федеральный университет, Российская академия наук, Сибирское отделение РАН, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Примечания : Библиогр.: 163 назв.
ISBN, Цена 978-5-7638-3080-4:
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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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III)
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 40, Is. 9. - P.648-652. - ISSN 1070-3284, DOI 10.1134/S1070328414090036. - ISSN 1608-3318
Примечания : 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.
Предметные 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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