Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



go2064 scheme

Acta Cryst. (2012). E68, o2794    [ doi:10.1107/S160053681203632X ]

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

W.-J. Xu, X.-H. Qiu, H.-J. Hua, S.-D. Tan and H.-Y. Ding

Abstract: Sitafloxacin is a newly developed fluoroquinolone antibacterial drug. The crystal studied, C19H18ClF2N3O3·CH3OH, 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 CO2 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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