Information card for entry 2239048

Structure parameters

• Chemical name: <i>N</i>-Ethyl-2,2-dimethyl-<i>N</i>-(3-methylphenyl)propanamide
• Formula: C14 H21 N O
• Calculated formula: C14 H21 N O
• SMILES: CCN(C(=O)C(C)(C)C)c1cccc(c1)C
• Title of publication: <i>N</i>-Ethyl-2,2-dimethyl-<i>N</i>-(3-methylphenyl)propanamide
• Authors of publication: Palakshamurthy, B. S.; Suchetan, P. A.; Sreenivasa, S.; Lokanath, N. K.; Madhu Chakrapani Rao, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o223
• a: 7.631 ± 0.004 Å
• b: 10.878 ± 0.007 Å
• c: 8.35 ± 0.003 Å
• α: 90°
• β: 105.6 ± 0.02°
• γ: 90°
• Cell volume: 667.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes