Enrofloxacinium citrate monohydrate: Preparation, crystal structure, thermal stability and IR-characterization

Тип публикации: статья из журнала

Год издания: 2012

Идентификатор DOI: 10.1016/j.molstruc.2012.04.059

Ключевые слова: Enrofloxacin, Citric acid, Crystal structure, IR spectra, Thermal analysis, Citric acid, Crystal structure, Enrofloxacin, IR spectra, Thermal analysis, Alternating layers, Ambient conditions, Citrate ions, Colorless crystals, Crystal formation, Crystal structure determination, Enrofloxacin, H-bonding, Infrared spectrum, Intramolecular interactions, IR spectrum, Molecular ions, Stacking interaction, Triclinic lattice, Two-link, Water molecule, X-ray single crystal, Citric acid, Crystal structure, Differential scanning calorimetry, Infrared spectroscopy, Molecules, Thermoanalysis, Thermogravimetric analysis, Positive ions

Аннотация: Enrofloxacinium citrate monohydrate (I), C19H23FN3O3+center dot C6H2O7-center dot 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) angstrom, b = 9.6531(8) angstrom, c = 14.913(1) angstrom, alpha = 98.813(1)degrees, beta = 92.029(1)degrees, gamma = 91.013(1)degrees, Z = 2, V = 1286.1(2) angstrom(3), S.G. P (1) over bar. The crystal structure determination reveals the importance of inter- and intramolecular interactions in the crystal formation. The EnrH(2)(+) and H(3)Cit(-) 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 pi-stacking interactions are observed between the aromatic cycles of the adjacent cations which are located in an antiparallel style in a layer. (C) 2012 Elsevier B.V. All rights reserved.

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Выпуск журнала: Vol. 1021

Номера страниц: 112-117

ISSN журнала: 00222860

Место издания: AMSTERDAM



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