Information card for entry 2221607

Structure parameters

• Chemical name: 2,2,2-Trichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Formula: C10 H10 Cl3 N O
• Calculated formula: C10 H10 Cl3 N O
• SMILES: ClC(Cl)(Cl)C(=O)Nc1cc(c(cc1)C)C
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1041
• a: 5.9003 ± 0.0008 Å
• b: 20.843 ± 0.002 Å
• c: 9.996 ± 0.001 Å
• α: 90°
• β: 105.53 ± 0.01°
• γ: 90°
• Cell volume: 1184.4 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes