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Information card for entry 2200626
Preview
| Coordinates | 2200626.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 H12 Cl3 N O2 |
|---|---|
| Calculated formula | C7 H12 Cl3 N O2 |
| SMILES | ClC(Cl)(Cl)C(ON1CCCCC1)O |
| Title of publication | Chloral adduct of <i>N</i>-hydroxypiperidine |
| Authors of publication | Wolfgang Kliegel; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1173 - o1174 |
| a | 10.409 ± 0.001 Å |
| b | 11.922 ± 0.002 Å |
| c | 10.291 ± 0.001 Å |
| α | 109.78 ± 0.01° |
| β | 94.96 ± 0.01° |
| γ | 110.61 ± 0.01° |
| Cell volume | 1093.7 ± 0.3 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.95 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.