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Information card for entry 2008146
Preview
| Coordinates | 2008146.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H10 N2 O6 |
|---|---|
| Calculated formula | C12 H10 N2 O6 |
| SMILES | O=n1ccc(N(=O)=O)cc1.Oc1cccc(C(=O)O)c1 |
| Title of publication | A 1:1 complex of 4-nitropyridine <i>N</i>-oxide and 3-hydroxybenzoic acid |
| Authors of publication | Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 218 - 220 |
| a | 6.5453 ± 0.0006 Å |
| b | 7.5995 ± 0.0008 Å |
| c | 24.855 ± 0.003 Å |
| α | 90° |
| β | 95.46 ± 0.02° |
| γ | 90° |
| Cell volume | 1230.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.117 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Goodness-of-fit parameter for all reflections | 1.114 |
| Goodness-of-fit parameter for significantly intense reflections | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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