Information card for entry 2214542

Structure parameters

• Chemical name: 2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide
• Formula: C8 H4 Cl5 N O
• Calculated formula: C8 H4 Cl5 N O
• SMILES: C(C(=O)Nc1c(cc(cc1)Cl)Cl)(Cl)(Cl)Cl
• Title of publication: 2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)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: 8
• Pages of publication: o3391 - o3391
• a: 14.306 ± 0.002 Å
• b: 8.625 ± 0.002 Å
• c: 18.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2260.1 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes