Information card for entry 2008031

Structure parameters

• Chemical name: N-acetyl 4-bromo-2,6-dichloroaniline
• Formula: C8 H6 Br Cl2 N O
• Calculated formula: C8 H6 Br Cl2 N O
• 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: 16.7289 ± 0.0015 Å
• b: 4.6993 ± 0.0005 Å
• c: 25.928 ± 0.003 Å
• α: 90°
• β: 95.22 ± 0.014°
• γ: 90°
• Cell volume: 2029.9 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes