Information card for entry 2232354

Structure parameters

• Chemical name: <i>N</i>-Butyl-4,6-diphenylpyrimidin-2-amine
• Formula: C20 H21 N3
• Calculated formula: C20 H21 N3
• SMILES: n1c(c2ccccc2)cc(nc1NCCCC)c1ccccc1
• Title of publication: <i>N</i>-Butyl-4,6-diphenylpyrimidin-2-amine
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2956
• a: 8.1544 ± 0.0001 Å
• b: 9.5284 ± 0.0001 Å
• c: 11.3237 ± 0.0002 Å
• α: 77.09 ± 0.001°
• β: 74.152 ± 0.001°
• γ: 71.288 ± 0.001°
• Cell volume: 792.7 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1357
• 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