Coupling between 2-pyridyl-selenyl chloride and phenyl-seleno-cyanate: synthesis, crystal structure and non-covalent inter-actions.

ABSTRACT: A new pyridine-fused seleno-diazo-lium salt, 3-(phenyl-selan-yl)[1,2,4]selena-diazolo[4,5-a]pyridin-4-ylium chloride di-chloro-methane 0.352-solvate, C₁₂H₉N₂Se₂ ⁺·Cl^-·0.352CH₂Cl₂, was obtained from the reaction between 2-pyridyl-selenenyl chloride and phenyl-seleno-cyanate. 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^-) inter-actions. Non-covalent inter-actions were explored by DFT calculations followed by topological analysis of the electron density distribution (QTAIM analysis). The structure consists of pairs of seleno-diazo-lium moieties arranged in a

SUBMITTER: Temesgen AW 

PROVIDER: S-EPMC11451498 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature