Information card for entry 2213146

Structure parameters

• Chemical name: 2-(5-Bromo-1-methyl-1H-indol-3-ylcarbonyl)-N-methylacetamide
• Formula: C12 H11 Br N2 O2
• Calculated formula: C12 H11 Br N2 O2
• SMILES: Brc1cc2c(cc1)n(cc2C(=O)C(=O)NC)C
• Title of publication: 2-(5-Bromo-1-methyl-1<i>H</i>-indol-3-ylcarbonyl)-<i>N</i>-methylacetamide
• Authors of publication: Hong-Ming Dong; Yin Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2576 - o2577
• a: 11.8344 ± 0.0015 Å
• b: 5.6974 ± 0.0007 Å
• c: 17.651 ± 0.002 Å
• α: 90°
• β: 91.632 ± 0.002°
• γ: 90°
• Cell volume: 1189.6 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes