Information card for entry 2241405

Structure parameters

• Chemical name: Ethyl 3-(4-chlorophenyl)-5-[(<i>E</i>)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
• Formula: C16 H17 Cl N2 O3
• Calculated formula: C16 H17 Cl N2 O3
• SMILES: Clc1ccc(c2noc(c2C(=O)OCC)/C=C/N(C)C)cc1
• Title of publication: Crystal structure of ethyl 3-(4-chlorophenyl)-5-[(<i>E</i>)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
• Authors of publication: Efimov, Ilya; Slepukhin, Pavel; Bakulev, Vasiliy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1028
• a: 11.5494 ± 0.0013 Å
• b: 12.474 ± 0.002 Å
• c: 13.043 ± 0.0013 Å
• α: 102.369 ± 0.011°
• β: 105.501 ± 0.009°
• γ: 109.001 ± 0.013°
• Cell volume: 1615.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes