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Acta Cryst. (2011). E67, o2773-o2774  [ doi:10.1107/S160053681103707X ]

Moxifloxacinium chloride monohydrate

J.-J. Qian, J.-M. Gu, J. Shen, X.-R. Hu and S.-X. Wu

Abstract: 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+·Cl-·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) Å. 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...O, O-H...Cl and N-H...Cl hydrogen bonding; weak intermolecular C-H...O and C-H...Cl hydrogen bonding is also present in the crystal structure.

Online 30 September 2011

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