Information card for entry 2216260

Structure parameters

• Chemical name: 3,6-Dichloro-N-phenylpicolinamide
• Formula: C12 H8 Cl2 N2 O
• Calculated formula: C12 H8 Cl2 N2 O
• SMILES: Clc1c(nc(Cl)cc1)C(=O)Nc1ccccc1
• Title of publication: 3,6-Dichloro-<i>N</i>-phenylpicolinamide
• Authors of publication: Xian-Hong Yin; Kai Zhao; Yu Feng; Jie Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4617 - o4617
• a: 6.8404 ± 0.0011 Å
• b: 12.2627 ± 0.0019 Å
• c: 14.156 ± 0.002 Å
• α: 90°
• β: 101.044 ± 0.002°
• γ: 90°
• Cell volume: 1165.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes