Information card for entry 2214158

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenyl)-2,2,2-trimethylacetamide
• Formula: C11 H14 Cl N O
• Calculated formula: C11 H14 Cl N O
• SMILES: c1(c(cccc1)Cl)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-(2-Chlorophenyl)-2,2,2-trimethylacetamide
• Authors of publication: B. Thimme Gowda; Ingrid Svoboda; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3266 - o3266
• a: 10.159 ± 0.001 Å
• b: 10.248 ± 0.001 Å
• c: 11.071 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1152.6 ± 0.19 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes