Information card for entry 2213277

Structure parameters

• Chemical name: 2,2,2-Trimethyl-N-(4-methylphenyl)acetamide
• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: CC(C)(C)C(=O)Nc1ccc(cc1)C
• Title of publication: 2,2,2-Trimethyl-<i>N</i>-(4-methylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2327 - o2328
• a: 9.69 ± 0.0012 Å
• b: 10.1287 ± 0.0016 Å
• c: 23.923 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No