Information card for entry 2201689

Structure parameters

• Chemical name: (E)-Ethyl 3-acetamido-2-butenoate
• Formula: C8 H13 N O3
• Calculated formula: C8 H13 N O3
• SMILES: O=C(N/C(=C/C(=O)OCC)C)C
• Title of publication: Ethyl (<i>E</i>)-3-acetamido-2-butenoate
• 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: o1157 - o1158
• a: 20.006 ± 0.004 Å
• b: 9.545 ± 0.002 Å
• c: 11.922 ± 0.002 Å
• α: 90°
• β: 124.479 ± 0.004°
• γ: 90°
• Cell volume: 1876.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes