Information card for entry 2007530

Structure parameters

• Common name: 2,6-dibromo-4-nitroaniline
• Chemical name: 2,6-dibromo-4-nitroaniline
• Formula: C6 H4 Br2 N2 O2
• Calculated formula: C6 H4 Br2 N2 O2
• Title of publication: 2,6-Dibromo-4-nitroaniline
• Authors of publication: Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1113 - 1115
• a: 4.2308 ± 0.0003 Å
• b: 14.2071 ± 0.0009 Å
• c: 7.0308 ± 0.0005 Å
• α: 90°
• β: 101.961 ± 0.001°
• γ: 90°
• Cell volume: 413.43 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1477
• Weighted residual factors for significantly intense reflections: 0.1459
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No