Information card for entry 2219257

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: O=C1NC(c2ccccc2)C(=C(N1)C)C(=O)OCC
• Title of publication: Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Nizam Mohideen, M.; Rasheeth, A.; Huq, C. A. M. A.; Nizar, S. Syed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1752
• a: 7.5495 ± 0.0002 Å
• b: 8.9797 ± 0.0003 Å
• c: 11.0812 ± 0.0003 Å
• α: 107.843 ± 0.002°
• β: 108.603 ± 0.001°
• γ: 98.244 ± 0.002°
• Cell volume: 653.07 ± 0.04 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: 0.0578
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes