Information card for entry 2203521

Structure parameters

• Chemical name: 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• Formula: C13 H9 Cl F N O3
• Calculated formula: C13 H9 Cl F N O3
• SMILES: Clc1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1
• Title of publication: 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• Authors of publication: Song, Jian; Zhang, Shun-Xia; Lou, Ke-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o503 - o504
• a: 9.194 ± 0.004 Å
• b: 7.515 ± 0.004 Å
• c: 16.635 ± 0.008 Å
• α: 90°
• β: 93.784 ± 0.007°
• γ: 90°
• Cell volume: 1146.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes