Information card for entry 2229788

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-phenylaniline
• Formula: C12 H10 Br N
• Calculated formula: C12 H10 Br N
• SMILES: Brc1ccc(Nc2ccccc2)cc1
• Title of publication: 4-Bromo-<i>N</i>-phenylaniline
• Authors of publication: Hefter, Emily J.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o976
• a: 15.6741 ± 0.0006 Å
• b: 17.7531 ± 0.0007 Å
• c: 7.3608 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.24 ± 0.14 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes