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Information card for entry 2011936
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H12 N2 O6 |
|---|---|
| Calculated formula | C12 H12 N2 O6 |
| SMILES | c1(=O)cccc[nH]1.OC(=O)C(=O)O.c1(=O)cccc[nH]1 |
| Title of publication | Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids |
| Authors of publication | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 627 - 631 |
| a | 9.162 ± 0.003 Å |
| b | 9.898 ± 0.003 Å |
| c | 3.7672 ± 0.0017 Å |
| α | 98.86 ± 0.04° |
| β | 97.66 ± 0.03° |
| γ | 109.61 ± 0.03° |
| Cell volume | 311.6 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections | 1.96 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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