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Каталог книг и брошюр библиотеки ИФ СО РАН

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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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