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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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