Information card for entry 7215130

Structure parameters

• Formula: C24 H24 F N3 O7
• Calculated formula: C24 H24 F N3 O7
• SMILES: C1CN(CC[NH2+]1)c1c(cc2c(c1)n(cc(c2=O)C(=O)O)CC)F.c1(cccc(c1)C(=O)[O-])C(=O)O
• Title of publication: Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation
• Authors of publication: Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 6090
• a: 13.994 ± 0.0017 Å
• b: 13.6288 ± 0.0018 Å
• c: 22.537 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4298.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No