Information card for entry 2222928

Structure parameters

• Chemical name: 5-[3-(2,5-Dimethoxyphenyl)prop-2-enylidene]-1,3-diethyl-2- thioxohexahydropyrimidine-4,6-dione
• Formula: C19 H22 N2 O4 S
• Calculated formula: C19 H22 N2 O4 S
• SMILES: S=C1N(C(=O)/C(=C\C=C\c2c(OC)ccc(OC)c2)C(=O)N1CC)CC
• Title of publication: 5-[3-(2,5-Dimethoxyphenyl)prop-2-enylidene]-1,3-diethyl-2-thioxohexahydropyrimidine-4,6-dione
• Authors of publication: Asiri, Abdullah Mohamed; Khan, Salman A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1820
• a: 10.0519 ± 0.0002 Å
• b: 15.5942 ± 0.0003 Å
• c: 11.592 ± 0.0002 Å
• α: 90°
• β: 90.813 ± 0.001°
• γ: 90°
• Cell volume: 1816.88 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes