Information card for entry 2216197

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
• Formula: C17 H15 N3 O
• Calculated formula: C17 H15 N3 O
• SMILES: O(C)c1ccc(cc1)c1nc(nc(c1)c1ccccc1)N
• Title of publication: 4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
• Authors of publication: Fang-Fang Jian; Jian-Hui Wang; Jing Zhang; Xiao-Yan Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4886 - o4886
• a: 12.59 ± 0.003 Å
• b: 6.959 ± 0.0014 Å
• c: 16.32 ± 0.003 Å
• α: 90°
• β: 96.61 ± 0.03°
• γ: 90°
• Cell volume: 1420.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes