Information card for entry 2232900

Structure parameters

• Chemical name: Methyl 5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo- 2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C24 H22 N2 O6 S
• Calculated formula: C24 H22 N2 O6 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C1=Cc1ccc(OC)cc1)c1cc(OC)c(O)cc1)C(=O)OC)C
• Title of publication: Methyl 5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Nagarajaiah, H.; Begum, Noor Shahina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3444
• a: 6.8096 ± 0.0012 Å
• b: 9.9343 ± 0.0018 Å
• c: 16.246 ± 0.003 Å
• α: 86.816 ± 0.003°
• β: 85.588 ± 0.003°
• γ: 81.318 ± 0.003°
• Cell volume: 1082.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction 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 all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes