Information card for entry 2311646

Structure parameters

• Common name: NF m-OH-benzoate
• Formula: C23 H26 F N3 O7
• Calculated formula: C23 H26 F N3 O7
• SMILES: Fc1cc2C(=O)C(C(=O)O)=CN(c2cc1N1CC[NH2+]CC1)CC.[O-]C(=O)c1cc(O)ccc1.O
• Title of publication: Supramolecular structures and physicochemical properties of norfloxacin salts.
• Authors of publication: Xu, Yun; Jiang, Linglei; Mei, Xuefeng
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 4
• Pages of publication: 750 - 760
• a: 8.0761 ± 0.0002 Å
• b: 14.7184 ± 0.0003 Å
• c: 18.777 ± 0.0004 Å
• α: 90°
• β: 99.269 ± 0.001°
• γ: 90°
• Cell volume: 2202.83 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No