Information card for entry 2225637

Structure parameters

• Chemical name: Ethyl 2-(2-acetoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>- 1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C25 H22 N2 O5 S
• Calculated formula: C25 H22 N2 O5 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C\1=C\c1c(OC(=O)C)cccc1)c1ccccc1)C(=O)OCC)C
• Title of publication: Ethyl 2-(2-acetoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Jotani, Mukesh M.; Baldaniya, Bharat B.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o762 - o763
• a: 8.4236 ± 0.0003 Å
• b: 9.6807 ± 0.0003 Å
• c: 14.3345 ± 0.0005 Å
• α: 87.939 ± 0.002°
• β: 89.68 ± 0.002°
• γ: 75.287 ± 0.002°
• Cell volume: 1129.86 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.052
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes