Information card for entry 2008030

Structure parameters

• Chemical name: 2,4-dibromo-6-chloroaniline
• Formula: C6 H4 Br2 Cl N
• Calculated formula: C6 H4 Br2 Cl N
• Title of publication: 2,4,6-Halogeno-Aniline Derivatives
• Authors of publication: Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1974 - 1977
• a: 4.1787 ± 0.0005 Å
• b: 13.245 ± 0.002 Å
• c: 14.856 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 822.2 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• 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: 0.153
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes