Information card for entry 2213224

Structure parameters

• Chemical name: 1-(2-Bromo-1-methylindol-3-ylcarbonyl)pyrrolidine
• Formula: C14 H15 Br N2 O
• Calculated formula: C14 H15 Br N2 O
• SMILES: Brc1n(c2c(c1C(=O)N1CCCC1)cccc2)C
• Title of publication: 1-(2-Bromo-1-methyl-1<i>H</i>-indol-3-ylcarbonyl)pyrrolidine
• 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: o2474 - o2475
• a: 7.327 ± 0.002 Å
• b: 9.387 ± 0.003 Å
• c: 10.412 ± 0.004 Å
• α: 96.14 ± 0.03°
• β: 100.94 ± 0.03°
• γ: 109.32 ± 0.03°
• Cell volume: 652.3 ± 0.4 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: 0.2985
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes