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Information card for entry 2203664
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| Coordinates | 2203664.cif |
|---|---|
| Structure factors | 2203664.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,6'-Bis(chloromethyl)-2,2'-bipyridine |
|---|---|
| Formula | C12 H10 Cl2 N2 |
| Calculated formula | C12 H10 Cl2 N2 |
| SMILES | ClCc1cccc(n1)c1cccc(n1)CCl |
| Title of publication | 6,6'-Bis(chloromethyl)-2,2'-bipyridine |
| Authors of publication | Leonard F. Lindoy; John C. McMurtrie; Jason R. Price |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o886 - o888 |
| a | 11.7692 ± 0.0011 Å |
| b | 4.3678 ± 0.0004 Å |
| c | 10.8889 ± 0.001 Å |
| α | 90° |
| β | 93.588 ± 0.001° |
| γ | 90° |
| Cell volume | 558.65 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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