Information card for entry 8105346

Structure parameters

• Common name: 7-Ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3- carboxylic acid
• Formula: C18 H14 F2 N2 O4
• Calculated formula: C18 H14 F2 N2 O4
• SMILES: c12c(c(c(cc1C(=O)C(=CN2Cc1ccccn1)C(=O)O)F)OCC)F
• Title of publication: Crystal structure of 7-ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H14F2N2O4
• Authors of publication: Shu-Fang, Fang; Jia, Gu; Yuan-Zhen, Xiong; Guo-Ping, Huang; Jian-Ping, Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 971 - 973
• a: 6.377 ± 0.003 Å
• b: 9.466 ± 0.005 Å
• c: 13.367 ± 0.007 Å
• α: 83.409 ± 0.006°
• β: 83.283 ± 0.006°
• γ: 83.728 ± 0.006°
• Cell volume: 792.3 ± 0.7 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: 0.0959
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No