Information card for entry 2218169

Structure parameters

• Chemical name: 3,6-Dichloro-<i>N</i>-(4,6-dichloropyrimidin-2-yl)picolinamide
• Formula: C10 H4 Cl4 N4 O
• Calculated formula: C10 H4 Cl4 N4 O
• SMILES: Clc1c(nc(Cl)cc1)C(=O)Nc1nc(Cl)cc(Cl)n1
• Title of publication: 3,6-Dichloro-<i>N</i>-(4,6-dichloropyrimidin-2-yl)picolinamide
• Authors of publication: Zhang, Shan-Shan; Zhuang, Yue; Yin, Xian-Hong; Zhao, Kai; Lin, Cui-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o871
• a: 10.9313 ± 0.0013 Å
• b: 13.3682 ± 0.0014 Å
• c: 9.3846 ± 0.001 Å
• α: 90°
• β: 112.576 ± 0.001°
• γ: 90°
• Cell volume: 1266.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes