Information card for entry 2227189

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 2-(4-chlorophenyl)-3-[(2,4-difluorophenyl)amino]prop-2-enoate
• Formula: C17 H14 Cl F2 N O2
• Calculated formula: C17 H14 Cl F2 N O2
• SMILES: c1(c(cc(cc1)F)F)N/C=C(/c1ccc(cc1)Cl)C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 2-(4-chlorophenyl)-3-[(2,4-difluorophenyl)amino]prop-2-enoate
• Authors of publication: Xiao, Zhu-Ping; Wang, Xu-Dong; Liu, Tian; Zhu, Jian; Li, Zhi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3016
• a: 16.276 ± 0.003 Å
• b: 7.503 ± 0.0015 Å
• c: 13.812 ± 0.003 Å
• α: 90°
• β: 111.11 ± 0.03°
• γ: 90°
• Cell volume: 1573.5 ± 0.6 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: 0.1238
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes