Information card for entry 2213281

Structure parameters

• Common name: N-(2-Methylphenyl)-2,2,2-Trichloroacetamide
• Chemical name: 2,2,2-Trichloro-N-(2-methylphenyl)acetamide
• Formula: C9 H8 Cl3 N O
• Calculated formula: C9 H8 Cl3 N O
• SMILES: O=C(C(Cl)(Cl)Cl)Nc1ccccc1C
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(2-methylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2571 - o2572
• a: 10.15 ± 0.002 Å
• b: 10.216 ± 0.002 Å
• c: 10.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1121.6 ± 0.4 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes