Information card for entry 2216940

Structure parameters

• Chemical name: 2,2-Dichloro-<i>N</i>-(2,5-dichlorophenyl)acetamide
• Formula: C8 H5 Cl4 N O
• Calculated formula: C8 H5 Cl4 N O
• SMILES: c1(c(ccc(c1)Cl)Cl)NC(=O)C(Cl)Cl
• Title of publication: 2,2-Dichloro-<i>N</i>-(2,5-dichlorophenyl)acetamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o87 - o87
• a: 4.6977 ± 0.0004 Å
• b: 11.509 ± 0.002 Å
• c: 19.888 ± 0.003 Å
• α: 90°
• β: 95.23 ± 0.01°
• γ: 90°
• Cell volume: 1070.8 ± 0.3 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: 0.0962
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes