Information card for entry 7215132

Structure parameters

• Formula: C24 H27 F N4 O8
• Calculated formula: C24 H27 F N4 O8
• SMILES: C1CN(CC[NH2+]1)c1c(cc2c(c1)n(cc(c2=O)C(=O)O)CC)F.c1(c(c(ccc1)C(=O)[O-])N)C(=O)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: 9.567 ± 0.0008 Å
• b: 8.1152 ± 0.0006 Å
• c: 30.906 ± 0.003 Å
• α: 90°
• β: 92.476 ± 0.002°
• γ: 90°
• Cell volume: 2397.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.063
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No