Information card for entry 2205129

Structure parameters

• Common name: Ethyl 2-aceto-3-tryptamino-2-propenoate
• Chemical name: Ethyl 2-acetyl-3-[2-(1H-indol-3-yl)ethylamino]propenoate
• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: O=C(C(=CNCCc1c2ccccc2[nH]c1)C(=O)OCC)C
• Title of publication: Ethyl 2-acetyl-3-[2-(1<i>H</i>-indol-3-yl)ethylamino]propenoate
• Authors of publication: Fan, Ning-Juan; Li, Dong-Hong; Jiang, Xiao-Ming; Zhang, Yong-Bin; Guo, Wei; Xia, Chi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o373 - o374
• a: 8.4342 ± 0.0018 Å
• b: 9.391 ± 0.002 Å
• c: 10.36 ± 0.002 Å
• α: 79.941 ± 0.003°
• β: 71.597 ± 0.003°
• γ: 89.332 ± 0.003°
• Cell volume: 765.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes