Information card for entry 2232452

Structure parameters

• Chemical name: Ethyl 6-methyl-3-(2-methylprop-1-enyl)-2-oxo-4-phenyl- 1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C18 H22 N2 O3
• Calculated formula: C18 H22 N2 O3
• SMILES: C1(=C(C)NC(=O)N(C1c1ccccc1)C=C(C)C)C(=O)OCC
• Title of publication: Ethyl 6-methyl-3-(2-methylprop-1-enyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Wang, Xi-Cun; Tang, Xue-Hong; Da, Yu-Xia; Zhang, Zhang; Quan, Zheng-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2993
• a: 14.114 ± 0.004 Å
• b: 8.298 ± 0.002 Å
• c: 14.629 ± 0.004 Å
• α: 90°
• β: 93.959 ± 0.002°
• γ: 90°
• Cell volume: 1709.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes