| Autor: |
Temesge, Ayalew W., Tskhovrebov, Alexander G., Artemjev, Alexey A., Kubasov, Alexey S., Novikov, Alexander S., Borisov, Alexander V., Kirichuk, Anatoly A., Kritchenkov, Andreii S., Tuan Anh Le |
| Předmět: |
|
| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Oct2024, Vol. 80 Issue 10, p1024-1028, 9p |
| Abstrakt: |
A new pyridine-fused selenodiazolium salt, 3-(phenylselanyl)[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride dichloromethane 0.352-solvate, C12H9-N2Se2+ ·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 interact [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
