Information card for entry 2201452

Structure parameters

• Chemical name: (E)-Ethyl 3-acetamido-2-hexenoate
• Formula: C10 H17 N O3
• Calculated formula: C10 H17 N O3
• SMILES: O=C(OCC)/C=C(/NC(=O)C)CCC
• Title of publication: (<i>E</i>)-Ethyl 3-acetamido-2-hexenoate
• Authors of publication: Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1091 - o1092
• a: 11.036 ± 0.002 Å
• b: 12.26 ± 0.002 Å
• c: 9.5764 ± 0.0018 Å
• α: 90°
• β: 113.851 ± 0.004°
• γ: 90°
• Cell volume: 1185 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes