Information card for entry 2244034

Structure parameters

• Common name: Ciprofloxacin chloride–3,5-hydroxybenzoic acid–water (1/1/1)
• Chemical name: 4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chloride–3,5-hydroxybenzoic acid–water (1/1/1)
• Formula: C24 H27 Cl F N3 O8
• Calculated formula: C24 H27 Cl F N3 O8
• SMILES: [Cl-].Fc1cc2c(=O)c(C(=O)O)cn(c2cc1N1CC[NH2+]CC1)C1CC1.OC(=O)c1cc(O)cc(O)c1.O
• Title of publication: Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids
• Authors of publication: Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 7.2165 ± 0.0002 Å
• b: 8.8298 ± 0.0004 Å
• c: 10.1184 ± 0.0003 Å
• α: 92.997 ± 0.003°
• β: 95.219 ± 0.002°
• γ: 111.557 ± 0.004°
• Cell volume: 594.6 ± 0.04 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes