Information card for entry 2222673

Structure parameters

• Chemical name: 1-Cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxo- 1,4-dihydroquinoline-3-carboxylic acid
• Formula: C17 H17 F N4 O4
• Calculated formula: C17 H17 F N4 O4
• SMILES: n1(c2c(cc(F)c(c2)N2CCN(CC2)N=O)c(=O)c(c1)C(=O)O)C1CC1
• Title of publication: 1-Cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• Authors of publication: Li, Tao; Tang, Li-Rong; Zeng, Qiao-Ling; Chen, Wei-Jin; Huang, Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2053
• a: 8.378 ± 0.003 Å
• b: 9.625 ± 0.004 Å
• c: 10.328 ± 0.004 Å
• α: 102.99 ± 0.02°
• β: 96.089 ± 0.014°
• γ: 97.392 ± 0.016°
• Cell volume: 796.9 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0888
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes