Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The title compound, C 11H 6N 3SSe +·Cl -, produced by the reaction between 3,4-di-cyano-thio-phene and 2-pyridyl-selenyl chloride was isolated as a salt that crystallizes in the triclinic space group P1. Notable features include strong chalcogen inter-actions (Se⋯Cl and Se⋯S), as revealed through Hirshfeld surface analysis, which also highlights significant contributions from N⋯H/H⋯N, C⋯H/H⋯C and H⋯H contacts in the crystal packing. Supra-molecular inter-actions were further analysed using density functional theory (DFT) and quantum theory of atoms in mol-ecules (QTAIM) at the ωB97XD/6-311++G** level of theory.
Язык оригинала | английский |
---|---|
Страницы (с-по) | 224-228 |
Число страниц | 5 |
Журнал | Acta Crystallographica Section E Crystallographic Communications |
Том | 81 |
Номер выпуска | 3 |
DOI | |
Состояние | Опубликовано - 1 мар 2025 |
ID: 132255477