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Information card for entry 2006080
Preview
| Coordinates | 2006080.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H12 N2 O2 |
|---|---|
| Calculated formula | C12 H12 N2 O2 |
| SMILES | O=n1c(c2cc(ccn2=O)C)cc(cc1)C |
| Title of publication | 4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide |
| Authors of publication | Kanno, H.; Iijima, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 498 - 499 |
| a | 11.232 ± 0.004 Å |
| b | 9.175 ± 0.003 Å |
| c | 10.444 ± 0.004 Å |
| α | 90 ± 0° |
| β | 107.09 ± 0.03° |
| γ | 90 ± 0° |
| Cell volume | 1028.8 ± 0.7 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Goodness-of-fit parameter for significantly intense reflections | 1.59 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.