Information card for entry 2218351

Structure parameters

• Chemical name: (<i>Z</i>)-Methyl 3-(4-ethoxyanilino)but-2-enoate
• Formula: C13 H17 N O3
• Calculated formula: C13 H17 N O3
• SMILES: O(c1ccc(N/C(C)=C\C(=O)OC)cc1)CC
• Title of publication: (<i>Z</i>)-Methyl 3-(4-ethoxyanilino)but-2-enoate
• Authors of publication: Zhang, Li-Ping; Ni, Cai-Hua; Li, Zhi-Yong; Zhang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1051
• a: 12.421 ± 0.002 Å
• b: 6.3372 ± 0.0013 Å
• c: 16.569 ± 0.003 Å
• α: 90°
• β: 96.519 ± 0.003°
• γ: 90°
• Cell volume: 1295.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes