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Information card for entry 2241971
Preview
| Coordinates | 2241971.cif |
|---|---|
| Structure factors | 2241971.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Chloroselanyl)pyridine 1-oxide |
|---|---|
| Formula | C5 H4 Cl N O Se |
| Calculated formula | C5 H4 Cl N O Se |
| SMILES | [Se](Cl)c1n(=O)cccc1 |
| Title of publication | The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se···O interaction |
| Authors of publication | Askerov, Rizvan K.; Matsulevich, Zhanna V.; Borisova, Galina N.; Zalepkina, Svetlana A.; Smirnov, Vasiliy F.; Grishina, Maria M.; Dorovatovskii, Pavel V.; Borisov, Alexander V.; Khrustalev, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1864 - 1866 |
| a | 3.9601 ± 0.0008 Å |
| b | 7.5102 ± 0.0015 Å |
| c | 22.35 ± 0.005 Å |
| α | 90° |
| β | 94.32 ± 0.03° |
| γ | 90° |
| Cell volume | 662.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0834 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.9699 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188962 (current) | 2016-12-06 | cif/ hkl/ Adding structures of 2241971 via cif-deposit CGI script. |
2241971.cif 2241971.hkl |
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Users of the data should acknowledge the original authors of the
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