Information card for entry 2015859

Structure parameters

• Chemical name: 4,5-Dibromophthalimide
• Formula: C8 H3 Br2 N O2
• Calculated formula: C8 H3 Br2 N O2
• SMILES: c1(c(cc2c(c1)C(=O)NC2=O)Br)Br
• Title of publication: 4,5-Dibromophthalimide forms two centrosymmetric dimers, one linked by C—H···O hydrogen bonds and one by N—H···O hydrogen bonds
• Authors of publication: Williamson, Craig; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o185 - o186
• a: 6.7725 ± 0.0006 Å
• b: 11.0759 ± 0.001 Å
• c: 12.3543 ± 0.001 Å
• α: 101.734 ± 0.002°
• β: 91.725 ± 0.002°
• γ: 97.031 ± 0.002°
• Cell volume: 899.08 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes