Information card for entry 2207528

Structure parameters

• Chemical name: N-[4-(2,2-Dimethylpropionylamino)phenyl]-2,2-dimethylpropionamide
• Formula: C16 H24 N2 O2
• Calculated formula: C16 H24 N2 O2
• SMILES: O=C(C(C)(C)C)Nc1ccc(cc1)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-[4-(2,2-Dimethylpropionylamino)phenyl]-2,2-dimethylpropionamide
• Authors of publication: Hui-Zhen Guo; Guo-Dong Yin; Neng-Fang She; An-Xin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4062 - o4063
• a: 12.166 ± 0.004 Å
• b: 7.677 ± 0.003 Å
• c: 9.243 ± 0.003 Å
• α: 90°
• β: 96.613 ± 0.006°
• γ: 90°
• Cell volume: 857.5 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes