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Information card for entry 2239048
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| Coordinates | 2239048.cif |
|---|---|
| Structure factors | 2239048.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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