Information card for entry 2222225

Structure parameters

• Chemical name: 2,2-Dichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Formula: C10 H11 Cl2 N O
• Calculated formula: C10 H11 Cl2 N O
• SMILES: ClC(Cl)C(=O)Nc1cc(c(cc1)C)C
• Title of publication: 2,2-Dichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1607
• a: 11.951 ± 0.001 Å
• b: 10.534 ± 0.001 Å
• c: 9.303 ± 0.001 Å
• α: 90°
• β: 111.26 ± 0.01°
• γ: 90°
• Cell volume: 1091.5 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes