Information card for entry 2224471

Structure parameters

• Chemical name: 2,2,2-Tribromo-<i>N</i>-(3-methylphenyl)acetamide
• Formula: C9 H8 Br3 N O
• Calculated formula: C9 H8 Br3 N O
• SMILES: Cc1cccc(c1)NC(=O)C(Br)(Br)Br
• Title of publication: 2,2,2-Tribromo-<i>N</i>-(3-methylphenyl)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: 12
• Pages of publication: o3242
• a: 11.36 ± 0.001 Å
• b: 10.28 ± 0.001 Å
• c: 20.298 ± 0.003 Å
• α: 90°
• β: 100.23 ± 0.01°
• γ: 90°
• Cell volume: 2332.7 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes