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Information card for entry 2243385
Preview
| Coordinates | 2243385.cif |
|---|---|
| Structure factors | 2243385.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-(2,5-Dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine |
|---|---|
| Formula | C17 H27 N O2 |
| Calculated formula | C17 H27 N O2 |
| SMILES | O(c1c(N2C(CCCC2(C)C)(C)C)cc(OC)cc1)C |
| Title of publication | The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine |
| Authors of publication | Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 794 - 797 |
| a | 6.8817 ± 0.001 Å |
| b | 28.249 ± 0.004 Å |
| c | 8.1369 ± 0.0013 Å |
| α | 90° |
| β | 99.649 ± 0.012° |
| γ | 90° |
| Cell volume | 1559.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251809 (current) | 2020-05-06 | cif/ hkl/ Adding structures of 2243385 via cif-deposit CGI script. |
2243385.cif 2243385.hkl |
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