Information card for entry 2233590

Structure parameters

• Chemical name: Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>- thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate‒<i>N</i>,<i>N</i>- dimethylformamide (1/1)
• Formula: C27 H27 N3 O6 S
• Calculated formula: C27 H27 N3 O6 S
• SMILES: N(C=O)(C)C.S1C(=Cc2ccc(cc2)C(=O)O)C(=O)N2C1=NC(=C(C2c1ccccc1)C(=O)OCC)C
• Title of publication: Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate‒<i>N</i>,<i>N</i>-dimethylformamide (1/1)
• 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: 2
• Pages of publication: o441
• a: 8.4146 ± 0.0004 Å
• b: 12.0699 ± 0.0005 Å
• c: 14.0185 ± 0.0006 Å
• α: 71.799 ± 0.002°
• β: 78.753 ± 0.002°
• γ: 86.488 ± 0.002°
• Cell volume: 1326.56 ± 0.1 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: 0.099
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes