Information card for entry 7248565

Structure parameters

• Formula: C25 H24 F N3 O7
• Calculated formula: C25 H24 F N3 O7
• SMILES: Fc1c(N2CC[NH2+]CC2)cc2N(C=C(C(=O)c2c1)C(=O)O)C1CC1.O=C(O)c1ccccc1C(=O)[O-]
• Title of publication: Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility
• Authors of publication: Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 2662 - 2672
• a: 32.213 ± 0.012 Å
• b: 7.738 ± 0.002 Å
• c: 19.107 ± 0.006 Å
• α: 90°
• β: 103.238 ± 0.01°
• γ: 90°
• Cell volume: 4636 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1932
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2705
• Weighted residual factors for all reflections included in the refinement: 0.3495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No