Information card for entry 1556848

Structure parameters

• Chemical name: Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Formula: C16 H20 N2 O2 S
• Calculated formula: C16 H20 N2 O2 S
• Title of publication: Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: R, Shashi; Begum, Noor Shahina
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 10
• Pages of publication: x171440
• a: 14.4124 ± 0.0007 Å
• b: 14.9172 ± 0.0006 Å
• c: 15.1412 ± 0.0006 Å
• α: 90°
• β: 100.377 ± 0.001°
• γ: 90°
• Cell volume: 3202 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes