Information card for entry 2220614

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-(4-chlorobenzamido)-2-cyano-3-(4-fluorophenyl)acrylate
• Formula: C19 H14 Cl F N2 O3
• Calculated formula: C19 H14 Cl F N2 O3
• SMILES: c1(ccc(cc1)Cl)C(=O)N/C(c1ccc(cc1)F)=C(/C#N)C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 3-(4-chlorobenzamido)-2-cyano-3-(4-fluorophenyl)acrylate
• Authors of publication: Zhang, Dehua; Zhang, Xiaoyan; Guo, Lijuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o90
• a: 6.1429 ± 0.0005 Å
• b: 13.1555 ± 0.0006 Å
• c: 22.9263 ± 0.001 Å
• α: 90°
• β: 92.28 ± 0.004°
• γ: 90°
• Cell volume: 1851.27 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes