Information card for entry 2233283

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl- 3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C25 H24 N2 O3 S
• Calculated formula: C25 H24 N2 O3 S
• SMILES: S1C(C(=O)N2C1=NC(=C(C2c1ccccc1)C(=O)OCC)C)=Cc1c(cc(cc1)C)C
• Title of publication: (<i>Z</i>)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Chen, Xiao-Yan; Wang, Han-Chu; Zhang, Qian; Song, Zhi-Jian; Zheng, Fei-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o127
• a: 9.69 ± 0.005 Å
• b: 10.62 ± 0.005 Å
• c: 21.692 ± 0.012 Å
• α: 90°
• β: 90.682 ± 0.01°
• γ: 90°
• Cell volume: 2232 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes