Bis[(2R,6S)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate

• Main Authors: Tao Li, Lin Yang, Yuan Cheng Wang, Qiang Lian
• Format: Article
• Language: English
• Published: International Union of Crystallography 2011-12-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S160053681104757X

The title compound, C19H23F2N4O3+·0.5SO42−·2.5H2O, an antibacterial fluoroquinolone, crystallized as a racemic twin (major twin component = 0.633) in the chiral space group P1. The asymmetric unit contains two sparfloxacinium cations, one sulfate anion and five molecules of water of solvation. The bond lengths and angles of both cations are almost identical. The quinoline ring systems in the cations are essentially planar, the mean deviations from the best plane being 0.045 (2) and 0.054 (2) Å and make π–π interactions with each other [centroid–centroid distances of 3.692 (4) Å and 3.744 (4) Å]. The crystal structure features intermolecular O—H...O, O—H...S, N+—H...O, N+—H...S and N—H...O hydrogen bonds together with intramolecular O—H...O and N—H...O hydrogen bonds. As a result, a three-dimensional supramolecular structure is observed.