Information card for entry 2217481

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)-2-methylacetamide
• Formula: C11 H15 N O
• Calculated formula: C11 H15 N O
• SMILES: O=C(Nc1c(cccc1C)C)CC
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-methylacetamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o380 - o380
• a: 4.7915 ± 0.0007 Å
• b: 11.593 ± 0.002 Å
• c: 17.966 ± 0.003 Å
• α: 90°
• β: 96.11 ± 0.02°
• γ: 90°
• Cell volume: 992.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes