Information card for entry 2217996

Structure parameters

• Chemical name: Ethyl 2-[(<i>Z</i>)-3-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
• Formula: C23 H19 Cl N2 O3 S
• Calculated formula: C23 H19 Cl N2 O3 S
• SMILES: S1C2=NC(=C(C(N2C(=O)C1=Cc1cccc(Cl)c1)c1ccccc1)C(=O)OCC)C
• Title of publication: Ethyl 2-[(<i>Z</i>)-3-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: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o739
• a: 8.265 ± 0.0003 Å
• b: 10.3291 ± 0.0004 Å
• c: 13.5655 ± 0.0005 Å
• α: 94.129 ± 0.002°
• β: 100.837 ± 0.002°
• γ: 111.812 ± 0.002°
• Cell volume: 1043.14 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes