Information card for entry 2213263

Structure parameters

• Chemical name: Ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C14 H16 N2 O4
• Calculated formula: C14 H16 N2 O4
• SMILES: N1C(=C(C(=O)OCC)C(NC1=O)c1c(O)cccc1)C
• Title of publication: Ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Qing-Fang, Cheng; Xing-You Xu; Jing-Yan Bao; Chun-Fang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2391 - o2392
• a: 20.757 ± 0.003 Å
• b: 9.042 ± 0.002 Å
• c: 13.919 ± 0.002 Å
• α: 90°
• β: 92.313 ± 0.003°
• γ: 90°
• Cell volume: 2610.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes