7-[(7S)-7-Aza­niumyl-5-aza­spiro­[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluoro­cyclo­prop­yl]-4-oxo-1,4-dihydroquinoline-3-carboxyl­ate methanol monosolvate

Sitafloxacin is a newly developed fluoro­quinolone anti­bacterial drug. The crystal studied, C(19)H(18)ClF(2)N(3)O(3)·CH(3)OH, consists of one mol­ecule of sitafloxacin and one methanol solvent mol­ecule. The mol­ecule of sitafloxacin is a zwitterion with a protonated primary amine group and a depro...

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Detalles Bibliográficos
Autores principales: Xu, Wen-jie, Qiu, Xue-hui, Hua, Huai-jie, Tan, Song-de, Ding, Hai-yan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435823/
https://www.ncbi.nlm.nih.gov/pubmed/22969669
http://dx.doi.org/10.1107/S160053681203632X
Descripción
Sumario:Sitafloxacin is a newly developed fluoro­quinolone anti­bacterial drug. The crystal studied, C(19)H(18)ClF(2)N(3)O(3)·CH(3)OH, consists of one mol­ecule of sitafloxacin and one methanol solvent mol­ecule. The mol­ecule of sitafloxacin is a zwitterion with a protonated primary amine group and a deprotonated carboxylate group. The cyclopropane ring and the CO(2) group make dihedral angles of 79.5 (3) and 35.4 (4)°, respectively, with the fused ring system. The supra­molecular structure is defined by N—H⋯O and O—H⋯O hydrogen bonds.

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