Information card for entry 2217629

Structure parameters

• Chemical name: (E)-Ethyl 3-(2-fluoroanilino)-2-(4-methoxyphenyl)acrylate
• Formula: C18 H18 F N O3
• Calculated formula: C18 H18 F N O3
• SMILES: O(c1ccc(/C(C(=O)OCC)=C\Nc2c(F)cccc2)cc1)C
• Title of publication: (<i>E</i>)-Ethyl 3-(2-fluoroanilino)-2-(4-methoxyphenyl)acrylate
• Authors of publication: Zheng, Yi; Xiao, Zhu-Ping; Wang, Kai-Rui; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o489 - o489
• a: 6.363 ± 0.0013 Å
• b: 9.47 ± 0.0019 Å
• c: 13.981 ± 0.003 Å
• α: 97.68 ± 0.03°
• β: 97.38 ± 0.03°
• γ: 95.4 ± 0.03°
• Cell volume: 822.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes