Information card for entry 2215293

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dichlorophenyl)-2,2,2-trimethylacetamide
• Formula: C11 H13 Cl2 N O
• Calculated formula: C11 H13 Cl2 N O
• SMILES: Clc1cccc(NC(=O)C(C)(C)C)c1Cl
• Title of publication: <i>N</i>-(2,3-Dichlorophenyl)-2,2,2-trimethylacetamide
• 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: 9
• Pages of publication: o3788 - o3788
• a: 11.206 ± 0.003 Å
• b: 11.139 ± 0.003 Å
• c: 10.075 ± 0.002 Å
• α: 90°
• β: 102.7 ± 0.03°
• γ: 90°
• Cell volume: 1226.8 ± 0.5 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: 0.0755
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes