Information card for entry 2222709

Structure parameters

• Chemical name: 3,6-Dichloro-<i>N</i>-(4-fluorophenyl)picolinamide
• Formula: C12 H7 Cl2 F N2 O
• Calculated formula: C12 H7 Cl2 F N2 O
• SMILES: Clc1c(nc(Cl)cc1)C(=O)Nc1ccc(F)cc1
• Title of publication: 3,6-Dichloro-<i>N</i>-(4-fluorophenyl)picolinamide
• Authors of publication: Tan, Zhengde; Bing, Yi; Fang, Shen; Kai, Zhao; Yan, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1758
• a: 24.921 ± 0.002 Å
• b: 4.3735 ± 0.0006 Å
• c: 11.1723 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1217.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes