Information card for entry 2224606

Structure parameters

• Chemical name: 1,3-Bis(4-methylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C20 H20 N2 O2
• Calculated formula: C20 H20 N2 O2
• SMILES: O=C1N(C(=O)N(Cc2ccc(cc2)C)C=C1)Cc1ccc(cc1)C
• Title of publication: 1,3-Bis(4-methylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Li, Gong-Chun; Song, Xiao-Ping; Zhang, Li-Ke; Cui, Jiao-Jiao; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o193
• a: 9.4182 ± 0.0019 Å
• b: 10.102 ± 0.002 Å
• c: 10.448 ± 0.002 Å
• α: 66.25 ± 0.03°
• β: 80.79 ± 0.03°
• γ: 71.18 ± 0.03°
• Cell volume: 860.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes