Information card for entry 2223175

Structure parameters

• Chemical name: 2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide
• Formula: C8 H5 Br3 Cl N O
• Calculated formula: C8 H5 Br3 Cl N O
• SMILES: c1(ccc(cc1)Cl)NC(=O)C(Br)(Br)Br
• Title of publication: 2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2172
• a: 9.7332 ± 0.0008 Å
• b: 10.2462 ± 0.0009 Å
• c: 23.898 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.3 ± 0.3 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: 0.1112
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes