Information card for entry 2212149

Structure parameters

• Chemical name: Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• SMILES: N1C(=C(C(=O)OCC)[C@@H](NC1=O)c1ccccc1)C
• Title of publication: Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Qing-Fang Cheng; Xing-You Xu; Peng-Fei Shi; Xi-Lan Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o468 - o469
• a: 11.516 ± 0.003 Å
• b: 7.429 ± 0.002 Å
• c: 16.101 ± 0.003 Å
• α: 90°
• β: 104.878 ± 0.003°
• γ: 90°
• Cell volume: 1331.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes