Information card for entry 2215557

Structure parameters

• Chemical name: (Z)-ethyl 3-(benzamido)-2-cyano-3-(4-fluorophenyl)acrylate
• Formula: C19 H15 F N2 O3
• Calculated formula: C19 H15 F N2 O3
• SMILES: CCOC(=O)/C(=C(c1ccc(cc1)F)\NC(=O)c1ccccc1)C#N
• Title of publication: (<i>Z</i>)-Ethyl 3-benzamido-2-cyano-3-(4-fluorophenyl)acrylate
• Authors of publication: Dehua Zhang; Jianquan Lu; Xiaoyan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4053 - o4053
• a: 6.2149 ± 0.0005 Å
• b: 14.138 ± 0.001 Å
• c: 19.05 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.9 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes