Information card for entry 2240760

Structure parameters

• Chemical name: 2,2-Dimethyl-<i>N</i>-(5-methylpyridin-2-yl)propanamide
• Formula: C11 H16 N2 O
• Calculated formula: C11 H16 N2 O
• SMILES: c1(ccc(cn1)C)NC(=O)C(C)(C)C
• Title of publication: Crystal structure of 2,2-dimethyl-<i>N</i>-(5-methylpyridin-2-yl)propanamide
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o419 - o420
• a: 11.1969 ± 0.0002 Å
• b: 8.6439 ± 0.0002 Å
• c: 23.8844 ± 0.0005 Å
• α: 90°
• β: 94.549 ± 0.002°
• γ: 90°
• Cell volume: 2304.37 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes