Information card for entry 2240103

Structure parameters

• Chemical name: Ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C14 H14 Cl2 N2 O3
• Calculated formula: C14 H14 Cl2 N2 O3
• Title of publication: Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Bharanidharan, S.; Saleem, H.; Gunasekaran, B.; Padusha, M. Syed Ali; Suresh, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1185 - o1186
• a: 7.4698 ± 0.0003 Å
• b: 9.1436 ± 0.0003 Å
• c: 12.6085 ± 0.0004 Å
• α: 107.147 ± 0.002°
• β: 99.941 ± 0.002°
• γ: 105.331 ± 0.002°
• Cell volume: 763.71 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0783
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes