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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
The title compound, C(19)H(23)F(2)N(4)O(3) (+)·0.5SO(4) (2−)·2.5H(2)O, 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 wa...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239011/ https://www.ncbi.nlm.nih.gov/pubmed/22199860 http://dx.doi.org/10.1107/S160053681104757X |
Sumario: | The title compound, C(19)H(23)F(2)N(4)O(3) (+)·0.5SO(4) (2−)·2.5H(2)O, 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. |
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