Information card for entry 2205382

Structure parameters

• Chemical name: 4-Bromo-2,6-dichloroaniline
• Formula: C6 H4 Br Cl2 N
• Calculated formula: C6 H4 Br Cl2 N
• SMILES: c1(c(cc(cc1Cl)Br)Cl)N
• Title of publication: 4-Bromo-2,6-dichloroaniline
• Authors of publication: M. Arun Prasad; Babu Varghese; M. V. Sangaranarayanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o758 - o759
• a: 4.015 ± 0.003 Å
• b: 15.41 ± 0.01 Å
• c: 25.73 ± 0.005 Å
• α: 90°
• β: 91.22 ± 0.07°
• γ: 90°
• Cell volume: 1591.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1656
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes