Information card for entry 2229830

Structure parameters

• Common name: bis(4-bromophenyl)amine
• Chemical name: 4-Bromo-<i>N</i>-(4-bromophenyl)aniline
• Formula: C12 H9 Br2 N
• Calculated formula: C12 H9 Br2 N
• SMILES: Brc1ccc(Nc2ccc(Br)cc2)cc1
• Title of publication: 4-Bromo-<i>N</i>-(4-bromophenyl)aniline
• Authors of publication: Duong, Michelle M.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o755
• a: 5.9993 ± 0.0012 Å
• b: 13.032 ± 0.003 Å
• c: 14.228 ± 0.003 Å
• α: 90°
• β: 96.967 ± 0.003°
• γ: 90°
• Cell volume: 1104.2 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes