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Information card for entry 2238884
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| Coordinates | 2238884.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-(Phenylselenonyl)pyridine |
|---|---|
| Formula | C11 H9 N O2 Se |
| Calculated formula | C11 H9 N O2 Se |
| SMILES | [Se](=O)(=O)(c1ncccc1)c1ccccc1 |
| Title of publication | 2-(Phenylselenonyl)pyridine |
| Authors of publication | Gulati, Shivani; Bhasin, K. K.; Potapov, V. A.; Arora, Ekta; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1791 |
| a | 6.1598 ± 0.0005 Å |
| b | 7.7223 ± 0.0006 Å |
| c | 11.4952 ± 0.0007 Å |
| α | 80.683 ± 0.006° |
| β | 83.494 ± 0.006° |
| γ | 74.614 ± 0.007° |
| Cell volume | 518.83 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0696 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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