Information card for entry 2201324

Structure parameters

• Chemical name: Ethyl 5-bromo-3-phenyl indole-2-carbamate
• Formula: C17 H15 Br N2 O2
• Calculated formula: C17 H15 Br N2 O2
• SMILES: Brc1cc2c([nH]c(NC(=O)OCC)c2c2ccccc2)cc1
• Title of publication: Ethyl <i>N</i>-(5-bromo-3-phenylindol-2-yl)carbamate
• Authors of publication: Mruthyunjayaswamy, B. H. M.; Ijare, Omkar B.; Jadegoud, Y; Ray Chaudhuri, A.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o738 - o739
• a: 13.602 ± 0.002 Å
• b: 10.1781 ± 0.0017 Å
• c: 23.565 ± 0.004 Å
• α: 90°
• β: 106.267 ± 0.003°
• γ: 90°
• Cell volume: 3131.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes