Information card for entry 2222560

Structure parameters

• Chemical name: Ethyl 1-acetyl-1<i>H</i>-indole-3-carboxylate
• Formula: C13 H13 N O3
• Calculated formula: C13 H13 N O3
• SMILES: c12ccccc1c(cn2C(=O)C)C(=O)OCC
• Title of publication: Ethyl 1-acetyl-1<i>H</i>-indole-3-carboxylate
• Authors of publication: Siddiquee, Tasneem; Islam, Shahid; Bennett, Dennis; Zeller, Matthias; Hossain, Mahmun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1802 - o1803
• a: 7.519 ± 0.001 Å
• b: 8.479 ± 0.001 Å
• c: 10.187 ± 0.002 Å
• α: 97.38 ± 0.01°
• β: 95.78 ± 0.02°
• γ: 114.28 ± 0.01°
• Cell volume: 578.58 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes