Information card for entry 2214669

Structure parameters

• Chemical name: Ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-\ tetrahydropyrimidine-5-carboxylate
• Formula: C22 H23 N3 O6 S
• Calculated formula: C22 H23 N3 O6 S
• Title of publication: Ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Kumaradhas, P.; David Stephen, A.; Sathish Roy; Balakrishna Kalluraya; Sridar, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3403 - o3403
• a: 8.1475 ± 0.0008 Å
• b: 10.3588 ± 0.001 Å
• c: 14.8263 ± 0.0015 Å
• α: 86.62 ± 0.002°
• β: 78.262 ± 0.002°
• γ: 68.395 ± 0.002°
• Cell volume: 1138.9 ± 0.2 ų
• Cell temperature: 296 ± 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 significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes