Information card for entry 2222904

Structure parameters

• Chemical name: 2-Bromo-<i>N</i>-(4-bromophenyl)acetamide
• Formula: C8 H7 Br2 N O
• Calculated formula: C8 H7 Br2 N O
• SMILES: C(C(=O)Nc1ccc(cc1)Br)Br
• Title of publication: 2-Bromo-<i>N</i>-(4-bromophenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Svoboda, Ingrid; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1955
• a: 4.4987 ± 0.0003 Å
• b: 23.152 ± 0.001 Å
• c: 9.1098 ± 0.0005 Å
• α: 90°
• β: 99.713 ± 0.006°
• γ: 90°
• Cell volume: 935.22 ± 0.09 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes