Moxifloxacinium chloride monohydrate

作者:Qian, Jing-Jing; Gu, Jian-Ming; Shen, Jin; Hu, Xiu-Rong*; Wu, Su-Xiang
来源:ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67: O2773-+.
DOI:10.1107/S160053681103707X

摘要

The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azoniabicyclo[4.3.0] non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy- 4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate}, C21H25FN3O4+center dot Cl-center dot H2O, crystallizes with two moxifloxacinium cations, two chloride ions and two uncoordinated water molecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxifloxacinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107 (3) and 0.118 (3) angstrom. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water molecule and chloride anions participate in O-H center dot center dot center dot O, O-H center dot center dot center dot Cl and N-H center dot center dot center dot Cl hydrogen bonding; weak intermolecular C-H center dot center dot center dot O and C-H center dot center dot center dot Cl hydrogen bonding is also present in the crystal structure.

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