Information card for entry 2203338

Structure parameters

• Chemical name: Ethyl 2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro- 5H-thiazolo[3,2-a]pyrimidine-6-carboxylate dichloromethane solvate
• Formula: C24 H20 Cl4 N2 O3 S
• Calculated formula: C24 H20 Cl4 N2 O3 S
• SMILES: S1C(=C\c2ccc(Cl)cc2Cl)/C(=O)N2C1=NC(=C(C2c1ccccc1)C(=O)OCC)C.ClCCl
• Title of publication: Ethyl 2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate dichloromethane solvate
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Li, Xiao-Fang; Liang, Zu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o344 - o345
• a: 9.747 ± 0.004 Å
• b: 11.291 ± 0.004 Å
• c: 12.297 ± 0.005 Å
• α: 84.546 ± 0.007°
• β: 74.655 ± 0.006°
• γ: 78.378 ± 0.006°
• Cell volume: 1277.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes