Information card for entry 2215245

Structure parameters

• Chemical name: Ethyl 3-acetyl-6-methyl-4-(4-methoxyphenyl)-2-oxo-\ 1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C17 H20 N2 O5
• Calculated formula: C17 H20 N2 O5
• SMILES: c1cc(ccc1C1C(=C(C)NC(=O)N1C(=O)C)C(=O)OCC)OC
• Title of publication: Ethyl 3-acetyl-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Noor Shahina Begum; D. E. Vasundhara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3741 - o3742
• a: 8.8387 ± 0.0008 Å
• b: 20.2043 ± 0.0018 Å
• c: 10.0232 ± 0.0009 Å
• α: 90°
• β: 107.839 ± 0.002°
• γ: 90°
• Cell volume: 1703.9 ± 0.3 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes