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-HO and O-HO hydrogen bonds.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S160053681203632X/go2064sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.2 kbytes) [ doi:10.1107/S160053681203632X/go2064Isup3.cml ] Supplementary material

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