Information card for entry 8102389

Structure parameters

• Chemical name: 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl- 1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid chloridate C19H23ClFN3O4
• Formula: C19 H23 Cl F N3 O4
• Calculated formula: C19 H23 Cl F N3 O4
• SMILES: [Cl-].Fc1cc2c(n(cc(C(=O)O)c2=O)C2CC2)c(OC)c1N1CC[NH2+]C(C)C1
• Title of publication: Crystal structure of 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxo-3- quinolinecarboxylic acid hydrochloride, [C19H23FN3O4]Cl
• Authors of publication: Liang-Cai Yu; Yong Xia; Sheng-Li Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 237
• a: 10.833 ± 0.004 Å
• b: 7.683 ± 0.002 Å
• c: 23.976 ± 0.008 Å
• α: 90°
• β: 91.114 ± 0.016°
• γ: 90°
• Cell volume: 1995.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No