Information card for entry 2240457

Structure parameters

• Chemical name: Ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C17 H22 N2 O6
• Calculated formula: C17 H22 N2 O6
• SMILES: c1(cc(c(c(c1)OC)OC)OC)C1C(=C(C)NC(=O)N1)C(=O)OCC
• Title of publication: Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Novina, J. J.; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o206 - o207
• a: 10.1447 ± 0.0003 Å
• b: 10.1919 ± 0.0002 Å
• c: 10.8724 ± 0.0002 Å
• α: 117.882 ± 0.001°
• β: 101.371 ± 0.001°
• γ: 105.498 ± 0.001°
• Cell volume: 886.4 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes