Information card for entry 2225333

Structure parameters

• Chemical name: Ethyl (2<i>Z</i>)-2-(3-methoxybenzylidene)-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: C24 H22 N2 O4 S
• Calculated formula: C24 H22 N2 O4 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C1=Cc1cc(OC)ccc1)c1ccccc1)C(=O)OCC)C
• Title of publication: Ethyl (2<i>Z</i>)-2-(3-methoxybenzylidene)-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.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o599 - o600
• a: 33.0445 ± 0.0006 Å
• b: 9.5013 ± 0.0002 Å
• c: 13.8845 ± 0.0002 Å
• α: 90°
• β: 101.548 ± 0.001°
• γ: 90°
• Cell volume: 4271.01 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes