Information card for entry 2208457

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenoxy)-N-(4,6-dimethoxypyrimidin-2-yl)propionamide
• Formula: C15 H15 Cl2 N3 O4
• Calculated formula: C15 H15 Cl2 N3 O4
• SMILES: Clc1ccc(OC(C)C(=O)Nc2nc(OC)cc(OC)n2)c(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenoxy)-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)propionamide
• Authors of publication: Liu, Guo-Hua; Xue, Yun-Ning; Yang, Lian-Zhun; Yao, Mei; Xue, Si-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1028 - o1029
• a: 8.345 ± 0.002 Å
• b: 9.944 ± 0.004 Å
• c: 11.779 ± 0.003 Å
• α: 84.58 ± 0.007°
• β: 71.698 ± 0.005°
• γ: 70.013 ± 0.004°
• Cell volume: 872 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes