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Information card for entry 2009113
Preview
| Coordinates | 2009113.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,2'-bipyridine-5-sulfonic acid |
|---|---|
| Formula | C10 H8 N2 O3 S |
| Calculated formula | C10 H8 N2 O3 S |
| SMILES | S(=O)(=O)([O-])c1cnc(cc1)c1[nH+]cccc1 |
| Title of publication | 2,2'-Bipyridine-5-sulfonic acid |
| Authors of publication | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1921 - 1923 |
| a | 6.108 ± 0.001 Å |
| b | 7.026 ± 0.002 Å |
| c | 11.492 ± 0.002 Å |
| α | 97.21 ± 0.02° |
| β | 99.23 ± 0.02° |
| γ | 96.39 ± 0.02° |
| Cell volume | 478.57 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Goodness-of-fit parameter for all reflections | 1.075 |
| Goodness-of-fit parameter for significantly intense reflections | 1.105 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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