Information card for entry 2217015

Structure parameters

• Chemical name: 2,2-Dichloro-<i>N</i>-(2,3-dimethylphenyl)acetamide
• Formula: C10 H11 Cl2 N O
• Calculated formula: C10 H11 Cl2 N O
• SMILES: ClC(Cl)C(=O)Nc1c(c(ccc1)C)C
• Title of publication: 2,2-Dichloro-<i>N</i>-(2,3-dimethylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Ingrid Svoboda; Sabine Foro; Helmut Paulus; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o234 - o234
• a: 21.516 ± 0.008 Å
• b: 4.678 ± 0.002 Å
• c: 22.179 ± 0.009 Å
• α: 90°
• β: 91.54 ± 0.02°
• γ: 90°
• Cell volume: 2231.6 ± 1.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes