Information card for entry 2223626

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-(2,4,6-trimethylanilino)but-2-enoate
• Formula: C15 H21 N O2
• Calculated formula: C15 H21 N O2
• SMILES: O=C(OCC)/C=C(\Nc1c(cc(cc1C)C)C)C
• Title of publication: (<i>Z</i>)-Ethyl 3-(2,4,6-trimethylanilino)but-2-enoate
• Authors of publication: Amézquita-Valencia, Manuel; Hernández-Ortega, Simón; Suárez-Ortiz, G. Alejandra; Toscano, Rubén Alfredo; Cabrera, Armando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2728
• a: 8.5647 ± 0.0008 Å
• b: 20.6131 ± 0.0019 Å
• c: 8.2404 ± 0.0008 Å
• α: 90°
• β: 93.976 ± 0.002°
• γ: 90°
• Cell volume: 1451.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes