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Information card for entry 2200033
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| Coordinates | 2200033.cif |
|---|---|
| Structure factors | 2200033.hkl |
| Original IUCr paper | HTML |
| Common name | 3-carboxypyridinium chloride |
|---|---|
| Chemical name | 3-carboxypyridinium chloride |
| Formula | C6 H6 Cl N O2 |
| Calculated formula | C6 H6 Cl N O2 |
| SMILES | [Cl-].OC(=O)c1c[nH+]ccc1 |
| Title of publication | 3-Carboxypyridinium chloride |
| Authors of publication | Slouf, Miroslav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o61 - o62 |
| a | 7.1704 ± 0.0003 Å |
| b | 6.6685 ± 0.0006 Å |
| c | 7.4937 ± 0.0006 Å |
| α | 90° |
| β | 99.555 ± 0.005° |
| γ | 90° |
| Cell volume | 353.35 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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