Information card for entry 2313002

Structure parameters

• Common name: Sparfloxacinium 4-aminosalicylate
• Chemical name: 4-[5-Amino-3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl]-2,6-dimethylpiperazin-1-ium 4-amino-2-hydroxybenzoate
• Formula: C26 H29 F2 N5 O6
• Calculated formula: C26 H29 F2 N5 O6
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of a 1:1 salt of sparfloxacin and 4-amino-salicylic acid.
• Authors of publication: Patel, Bhumi C.; Modi, Krunal M.; Reddy, J. Prakasha
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 807 - 810
• a: 18.7603 ± 0.0003 Å
• b: 7.15744 ± 0.0001 Å
• c: 20.8511 ± 0.0003 Å
• α: 90°
• β: 94.3739 ± 0.0014°
• γ: 90°
• Cell volume: 2791.64 ± 0.07 ų
• Cell temperature: 296.4 ± 0.1 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No