Information card for entry 2213161

Structure parameters

• Common name: N-(2,6-dimethylphenyl)-2,2,2-trichloroacetamide
• Chemical name: 2,2,2-Trichloro-N-(2,6-dimethylphenyl)acetamide
• Formula: C10 H10 Cl3 N O
• Calculated formula: C10 H10 Cl3 N O
• SMILES: O=C(C(Cl)(Cl)Cl)Nc1c(C)cccc1C
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(2,6-dimethylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2343 - o2344
• a: 10.117 ± 0.001 Å
• b: 11.898 ± 0.001 Å
• c: 10.183 ± 0.001 Å
• α: 90°
• β: 100.89 ± 0.01°
• γ: 90°
• Cell volume: 1203.7 ± 0.2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes