Information card for entry 2229502

Structure parameters

• Chemical name: Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate
• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• SMILES: c1[nH]c2c(cccc2)c1C(=O)NCC(=O)OC
• Title of publication: Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate
• Authors of publication: Hu, Fang; Zheng, Le; Zeng, Xiang Chao; Li, Kai Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o742
• a: 8.0024 ± 0.0002 Å
• b: 9.1279 ± 0.0002 Å
• c: 15.9767 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.02 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes