Information card for entry 2213279

Structure parameters

• Common name: N-(4-chlorophenyl)-2,2,2-trimethylacetamide
• Chemical name: N-(4-chlorophenyl)-2,2,2-trimethylacetamide
• Formula: C11 H14 Cl N O
• Calculated formula: C11 H14 Cl N O
• SMILES: CC(C)(C)C(=O)Nc1ccc(cc1)Cl
• Title of publication: <i>N</i>-(4-Chlorophenyl)-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: 5
• Pages of publication: o2329 - o2330
• a: 9.6933 ± 0.0006 Å
• b: 10.115 ± 0.001 Å
• c: 23.542 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2308.2 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes