Information card for entry 1567083

Structure parameters

• Chemical name: 2,6-Dibromo-4-methylaniline
• Formula: C7 H7 Br2 N
• Calculated formula: C7 H7 Br2 N
• SMILES: Brc1c(N)c(Br)cc(c1)C
• Title of publication: 2,6-Dibromo-4-methylaniline
• Authors of publication: Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 6
• Pages of publication: x220577
• a: 4.3773 ± 0.0007 Å
• b: 13.585 ± 0.002 Å
• c: 14.057 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 835.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes