Information card for entry 2212940

Structure parameters

• Chemical name: Ethyl (2Z)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3- thiazolo[3,2-a]pyrimidine-6-carboxylate
• Formula: C23 H19 Cl N2 O3 S
• Calculated formula: C23 H19 Cl N2 O3 S
• SMILES: S1C2=NC(=C(C(N2C(=O)/C1=C/c1ccccc1Cl)c1ccccc1)C(=O)OCC)C
• Title of publication: Ethyl (2<i>Z</i>)-2-(2-chlorobenzylidene)-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.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1937 - o1939
• a: 9.467 ± 0.001 Å
• b: 10.337 ± 0.001 Å
• c: 21.736 ± 0.003 Å
• α: 90°
• β: 97.177 ± 0.002°
• γ: 90°
• Cell volume: 2110.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes