Information card for entry 2225647

Structure parameters

• Chemical name: 2,2,2-Tribromo-<i>N</i>-(2-methylphenyl)acetamide
• Formula: C9 H8 Br3 N O
• Calculated formula: C9 H8 Br3 N O
• SMILES: O=C(C(Br)(Br)Br)Nc1ccccc1C
• Title of publication: 2,2,2-Tribromo-<i>N</i>-(2-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: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o884
• a: 9.949 ± 0.002 Å
• b: 21.429 ± 0.004 Å
• c: 11.653 ± 0.002 Å
• α: 90°
• β: 107.69 ± 0.01°
• γ: 90°
• Cell volume: 2366.9 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes