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Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride / A. D. Vasil'ev [et al.] // J. Struct. Chem. - 2005. - Vol. 46, Is. 2. - P. 363-370, DOI 10.1007/s10947-006-0055-8. - Cited Reference Count: 16 . - ISSN 0022-4766
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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Доп.точки доступа:
Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N.N.; Churilov, G. N.; Чурилов, Григорий Николаевич
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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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Vasil'ev, A. D.
Crystal structure of hexakis-(N-methylthiourea) bismuth(III) triperchlorate / 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 0036-0236

РУБ Chemistry, Inorganic & Nuclear
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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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура триперхлората гексакис-(N-метилтиомочевина) висмута(III) [Текст] / А. Д. Васильев, Н. Н. Головнёв, А. А. Лешок // Журн. неорг. химии : Наука, 2012. - Т. 57 № 4. - С. 587-589

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
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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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    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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    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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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

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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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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Vasiliev, A. D.
Crystal structure of two hydrate phases of ciprofloxacindi-um tetrachloridocobaltate(II) / 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 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

Кл.слова (ненормированные):
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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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура двух гидратных фаз тетрахлоридокобальтата(ii) ципрофлоксациния / А. Д. Васильев // Журнал структурной химии : ФГУП "Издательство Сибирского отделения Российской акдемии наук", 2013. - Т. 54, № 3. - С. 553-558. - ISSN 0136-7463

Держатели документа:
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
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10.

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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