Information card for entry 3500031

Structure parameters

• Common name: 2,6-Dibromoaniline
• Chemical name: benzenamine, 2,6-dibromo-
• Formula: C6 H5 Br2 N
• Calculated formula: C6 H5 Br2 N
• SMILES: Brc1c(N)c(Br)ccc1
• Title of publication: 2,6-Dibromoaniline
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 4.3237 ± 0.0002 Å
• b: 10.1666 ± 0.0004 Å
• c: 16.3253 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 717.62 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes