Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions
| Autor: | Ayalew W. Temesgen, Alexander G. Tskhovrebov, Alexey A. Artemjev, Alexey S. Kubasov, Alexander S. Novikov, Alexander V. Borisov, Anatoly A. Kirichuk, Andreii S. Kritchenkov, Tuan Anh Le |
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| Jazyk: | angličtina |
| Rok vydání: | 2024 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 10, Pp 1024-1028 (2024) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989024008831 |
| Popis: | A new pyridine-fused selenodiazolium salt, 3-(phenylselanyl)[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride dichloromethane 0.352-solvate, C12H9N2Se2+·Cl−·0.352CH2Cl2, was obtained from the reaction between 2-pyridylselenenyl chloride and phenylselenocyanate. Single-crystal structural analysis revealed the presence of C—H...N, C—H...Cl−, C—H...Se hydrogen bonds as well as chalcogen–chalcogen (Se...Se) and chalcogen–halogen (Se...Cl−) interactions. Non-covalent interactions were explored by DFT calculations followed by topological analysis of the electron density distribution (QTAIM analysis). The structure consists of pairs of selenodiazolium moieties arranged in a head-to-tail fashion surrounding disordered dichloromethane molecules. The assemblies are connected by C—H...Cl− and C—H...N hydrogen bonds, forming layers, which stack along the c-axis direction connected by bifurcated Se...Cl−...H—C interactions. |
| Databáze: | Directory of Open Access Journals |
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