Information card for entry 2234359

Structure parameters

• Chemical name: Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)- 2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C26 H26 N2 O6 S
• Calculated formula: C26 H26 N2 O6 S
• SMILES: S1C2=NC(=C(C(=O)OCC)C(N2C(=O)C1=Cc1c(OC)cc(OC)cc1OC)c1ccccc1)C
• Title of publication: Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Banu, Noor Afshan; Bheema Raju, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1213
• a: 7.5363 ± 0.0019 Å
• b: 18.178 ± 0.005 Å
• c: 16.973 ± 0.004 Å
• α: 90°
• β: 94.465 ± 0.005°
• γ: 90°
• Cell volume: 2318.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes