Information card for entry 2209392

Structure parameters

• Chemical name: N-(2,6-Difluorobenzoyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea
• Formula: C14 H12 F2 N4 O4
• Calculated formula: C14 H12 F2 N4 O4
• SMILES: Fc1c(c(F)ccc1)C(=O)NC(=O)Nc1nc(OC)cc(n1)OC
• Title of publication: <i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>'-(4,6-dimethoxypyrimidin-2-yl)urea
• Authors of publication: Wang, Qing-Dong; Xue, Si-Jia; Yan, Lin; Ke, Shao-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2824 - o2825
• a: 7.687 ± 0.0008 Å
• b: 31.097 ± 0.003 Å
• c: 6.7432 ± 0.0007 Å
• α: 90°
• β: 110.371 ± 0.002°
• γ: 90°
• Cell volume: 1511.1 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9564
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes