Information card for entry 2311649

Structure parameters

• Common name: NF o-OH-benzoate
• Formula: C23 H26 F N3 O7
• Calculated formula: C23 H26 F N3 O7
• SMILES: Fc1c(N2CC[NH2+]CC2)cc2N(C=C(C(=O)O)C(=O)c2c1)CC.O.Oc1c(cccc1)C(=O)[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: 7.0237 ± 0.0004 Å
• b: 9.9645 ± 0.0005 Å
• c: 17.4655 ± 0.0009 Å
• α: 91.1 ± 0.003°
• β: 97.543 ± 0.003°
• γ: 109.906 ± 0.003°
• Cell volume: 1136.71 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No