Information card for entry 2213491

Structure parameters

• Chemical name: 2,2,2-trichloro-N-(3,4-dichlorophenyl)acetamide
• Formula: C8 H4 Cl5 N O
• Calculated formula: C8 H4 Cl5 N O
• SMILES: O=C(C(Cl)(Cl)Cl)Nc1ccc(c(c1)Cl)Cl
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(3,4-dichlorophenyl)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: o2567 - o2568
• a: 5.861 ± 0.0002 Å
• b: 20.2384 ± 0.0006 Å
• c: 9.9791 ± 0.0003 Å
• α: 90°
• β: 104.041 ± 0.003°
• γ: 90°
• Cell volume: 1148.33 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes