Information card for entry 2213225

Structure parameters

• Chemical name: 1-(2-Bromo-1-methylindol-3-ylcarbonyl)piperidine
• Formula: C15 H17 Br N2 O
• Calculated formula: C15 H17 Br N2 O
• SMILES: Brc1n(c2c(c1C(=O)N1CCCCC1)cccc2)C
• Title of publication: 1-(2-Bromo-1-methyl-1<i>H</i>-indol-3-ylcarbonyl)piperidine
• Authors of publication: Fraser, Heidi L.; Badenock, Jeanese C.; 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: o2476 - o2477
• a: 7.819 ± 0.003 Å
• b: 8.218 ± 0.003 Å
• c: 11.114 ± 0.005 Å
• α: 69.99 ± 0.03°
• β: 91.21 ± 0.04°
• γ: 111.16 ± 0.03°
• Cell volume: 621.5 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2707
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes