Information card for entry 2221960

Structure parameters

• Chemical name: Ethyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C14 H14 F2 N2 O3
• Calculated formula: C14 H14 F2 N2 O3
• SMILES: CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1F)F
• Title of publication: Ethyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Fun, Hoong-Kun; Yeap, Chin Sing; Babu, M.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1188 - o1189
• a: 7.5176 ± 0.0001 Å
• b: 8.0483 ± 0.0001 Å
• c: 11.9323 ± 0.0002 Å
• α: 90.147 ± 0.001°
• β: 100.839 ± 0.001°
• γ: 108.421 ± 0.001°
• Cell volume: 671.248 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes