Information card for entry 2213280

Structure parameters

• Common name: N-(3-chlorophenyl)-2,2,2-trimethylacetamide
• Chemical name: <i>N</i>-(3-Chlorophenyl)-2,2,2-trimethylacetamide
• Formula: C11 H14 Cl N O
• Calculated formula: C11 H14 Cl N O
• SMILES: CC(C)(C)C(=O)Nc1cc(ccc1)Cl
• Title of publication: <i>N</i>-(3-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: o2331 - o2332
• a: 10.778 ± 0.001 Å
• b: 10.623 ± 0.001 Å
• c: 10.117 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1158.3 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes