Information card for entry 2225844

Structure parameters

• Chemical name: 2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide
• Formula: C8 H5 Br3 Cl N O
• Calculated formula: C8 H5 Br3 Cl N O
• SMILES: c1(cc(ccc1)Cl)NC(=O)C(Br)(Br)Br
• Title of publication: 2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1140
• a: 12.803 ± 0.001 Å
• b: 9.146 ± 0.001 Å
• c: 20.221 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.8 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2899
• Weighted residual factors for all reflections included in the refinement: 0.3871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.585
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes