Information card for entry 2220778

Structure parameters

• Chemical name: Ethyl 5-(4-chlorophenyl)-2-[(<i>Z</i>)-(methoxycarbonyl)methylene]-7-methyl-3-oxo- 3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C19 H17 Cl N2 O5 S
• Calculated formula: C19 H17 Cl N2 O5 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C1=CC(=O)OC)c1ccc(Cl)cc1)C(=O)OCC)C
• Title of publication: Ethyl 5-(4-chlorophenyl)-2-[(<i>Z</i>)-(methoxycarbonyl)methylene]-7-methyl-3-oxo-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Hou, Zhao-Hui; Zhou, Ning-Bo; He, Bin-Hong; Li, Xiao-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o375
• a: 9.6687 ± 0.0019 Å
• b: 11.052 ± 0.002 Å
• c: 11.064 ± 0.002 Å
• α: 108.04 ± 0.03°
• β: 104.7 ± 0.03°
• γ: 111.82 ± 0.03°
• Cell volume: 948.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes