Information card for entry 2220091

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-(2,4-difluoroanilino)-2-(4-methoxyphenyl)acrylate
• Formula: C18 H17 F2 N O3
• Calculated formula: C18 H17 F2 N O3
• SMILES: c1(c(cc(cc1)F)F)N/C=C(/c1ccc(cc1)OC)C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 3-(2,4-difluoroanilino)-2-(4-methoxyphenyl)acrylate
• Authors of publication: Xiao, Zhu-Ping; Xiao, He-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2371
• a: 17.295 ± 0.004 Å
• b: 7.294 ± 0.0015 Å
• c: 14.233 ± 0.003 Å
• α: 90°
• β: 113.73 ± 0.03°
• γ: 90°
• Cell volume: 1643.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes