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Information card for entry 2009096
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| Coordinates | 2009096.cif |
|---|---|
| Structure factors | 2009096.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Hydroxypiperidinium iodide |
|---|---|
| Formula | C5 H12 I N O |
| Calculated formula | C5 H12 I N O |
| SMILES | [I-].[NH2+]1CCC(O)CC1 |
| Title of publication | Hydrogen bonding in two piperidinium derivatives |
| Authors of publication | Freytag, Matthias; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1874 - 1877 |
| a | 7.7939 ± 0.0008 Å |
| b | 12.3957 ± 0.0014 Å |
| c | 7.978 ± 0.001 Å |
| α | 90° |
| β | 97.48 ± 0.01° |
| γ | 90° |
| Cell volume | 764.2 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.017 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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