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Information card for entry 2240760
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| Coordinates | 2240760.cif |
|---|---|
| Structure factors | 2240760.hkl |
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240760.cif 2240760.hkl |
| 137294 | 2015-05-24 | cif/ hkl/ Adding structures of 2240760 via cif-deposit CGI script. |
2240760.cif 2240760.hkl |
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Users of the data should acknowledge the original authors of the
structural data.