Information card for entry 2213231

Structure parameters

• Chemical name: 2-Bromo-N-tert-butyl-N,1-dimethyl-1H-indole-3-carboxamide
• Formula: C15 H19 Br N2 O
• Calculated formula: C15 H19 Br N2 O
• SMILES: Brc1n(c2c(c1C(=O)N(C(C)(C)C)C)cccc2)C
• Title of publication: 2-Bromo-<i>N</i>-<i>tert</i>-butyl-<i>N</i>,1-dimethyl-1<i>H</i>-indole-3-carboxamide
• Authors of publication: Badenock, Jeanese C.; Fraser, Heidi L.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2478 - o2479
• a: 7.373 ± 0.007 Å
• b: 21.453 ± 0.007 Å
• c: 9.132 ± 0.009 Å
• α: 90°
• β: 96.06 ± 0.09°
• γ: 90°
• Cell volume: 1436 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.2065
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes