Information card for entry 2212855

Structure parameters

• Chemical name: N-(2-methylphenyl)-2,2,2-trimethylacetamide
• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: CC(C)(C)C(=O)Nc1ccccc1C
• Title of publication: 2,2,2-Trimethyl-<i>N</i>-(2-methylphenyl)acetamide
• Authors of publication: Gowda, B. Thimme; Kozisek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1983 - o1984
• a: 10.138 ± 0.002 Å
• b: 10.2597 ± 0.0019 Å
• c: 11.0305 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.3 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes