Information card for entry 2244033

Structure parameters

• Common name: Ciprofloxacin 2,6-Dihydroxybenzoate
• Chemical name: 4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,6-dihydroxybenzoate
• Formula: C24 H24 F N3 O7
• Calculated formula: C24 H24 F N3 O7
• SMILES: Fc1cc2c(=O)c(C(=O)O)cn(c2cc1N1CC[NH2+]CC1)C1CC1.[O-]C(=O)c1c(O)cccc1O
• 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: 7.9722 ± 0.0005 Å
• b: 21.2705 ± 0.0011 Å
• c: 13.086 ± 0.0007 Å
• α: 90°
• β: 101.805 ± 0.006°
• γ: 90°
• Cell volume: 2172.1 ± 0.2 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes