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Information card for entry 2008999
Preview
| Coordinates | 2008999.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-6-hydroxypyridinium Chloride Hydrate |
|---|---|
| Formula | C5 H7 Cl2 N O2 |
| Calculated formula | C5 H7 Cl2 N O2 |
| SMILES | Clc1[nH+]c(O)ccc1.[Cl-].O |
| Title of publication | 2-Chloro-6-hydroxypyridinium chloride hydrate |
| Authors of publication | Freytag, Matthias; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1682 - 1685 |
| a | 7.3471 ± 0.001 Å |
| b | 7.933 ± 0.0012 Å |
| c | 13.663 ± 0.0016 Å |
| α | 90° |
| β | 104.662 ± 0.008° |
| γ | 90° |
| Cell volume | 770.41 ± 0.18 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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