Information card for entry 2232409

Structure parameters

• Chemical name: Ethyl (<i>Z</i>)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro- 2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C23 H19 F N2 O3 S
• Calculated formula: C23 H19 F N2 O3 S
• SMILES: S1C(C(=O)N2C1=NC(=C(C2c1ccccc1)C(=O)OCC)C)=Cc1ccccc1F
• Title of publication: Ethyl (<i>Z</i>)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Zhao, Cheng-Guang; Hu, Jie; Zhang, Ya-Li; Zhang, Jing; Yang, Shu-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3009
• a: 9.323 ± 0.0019 Å
• b: 10.17 ± 0.002 Å
• c: 21.862 ± 0.004 Å
• α: 90°
• β: 96.33 ± 0.03°
• γ: 90°
• Cell volume: 2060.2 ± 0.7 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: 0.0742
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes