Information card for entry 2014911

Structure parameters

• Chemical name: 2-bromo-6-chloro-4-nitroaniline
• Formula: C6 H4 Br0.9 Cl1.1 N2 O2
• Calculated formula: C6 H4 Br0.9 Cl1.1 N2 O2
• Title of publication: Hydrogen bonding in C-substituted nitroanilines: simple <i>C</i>(8) chains in 2-bromo-6-chloro-4-nitroaniline
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o336 - o338
• a: 3.8052 ± 0.0003 Å
• b: 17.9667 ± 0.0013 Å
• c: 12.0417 ± 0.0009 Å
• α: 90°
• β: 93.224 ± 0.002°
• γ: 90°
• Cell volume: 821.95 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes