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Information card for entry 2243832
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| Coordinates | 2243832.cif |
|---|---|
| Structure factors | 2243832.hkl |
| Original IUCr paper | HTML |
| Common name | 3,6-Dihydroxypicolinic acid |
|---|---|
| Chemical name | 3-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid |
| Formula | C6 H5 N O4 |
| Calculated formula | C6 H5 N O4 |
| Title of publication | Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate |
| Authors of publication | Behrman, Edward J.; Parkin, Sean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 623 - 628 |
| a | 10.2045 ± 0.0006 Å |
| b | 6.1282 ± 0.0004 Å |
| c | 9.7293 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 608.42 ± 0.07 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 39 |
| Hermann-Mauguin space group symbol | A e m 2 |
| Hall space group symbol | A 2 -2b |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265246 (current) | 2021-05-15 | cif/ hkl/ Adding structures of 2243831, 2243832 via cif-deposit CGI script. |
2243832.cif 2243832.hkl |
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