Information card for entry 2217125

Structure parameters

• Common name: 4-Bromo-2,6-dimethylaniline
• Chemical name: 4-Bromo-2,6-dimethylaniline
• Formula: C8 H10 Br N
• Calculated formula: C8 H10 Br N
• SMILES: Brc1cc(C)c(N)c(C)c1
• Title of publication: 4-Bromo-2,6-dimethylaniline
• Authors of publication: Rui Liu; Yu-Hao Li; Wei Luo; Shan Liu; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o220 - o220
• a: 20.141 ± 0.004 Å
• b: 5.15 ± 0.001 Å
• c: 17.3 ± 0.004 Å
• α: 90°
• β: 111.53 ± 0.03°
• γ: 90°
• Cell volume: 1669.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes