Information card for entry 2214101

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)-2,2,2-trimethylacetamide
• Formula: C13 H19 N O
• Calculated formula: C13 H19 N O
• SMILES: c1(c(cccc1C)C)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-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: o3324 - o3324
• a: 10.799 ± 0.001 Å
• b: 15.33 ± 0.001 Å
• c: 16.173 ± 0.001 Å
• α: 70.004 ± 0.008°
• β: 89.8 ± 0.007°
• γ: 81.487 ± 0.007°
• Cell volume: 2485.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes