1. Coupling between 2-pyridyl-selenyl chloride and phenyl-seleno-cyanate: synthesis, crystal structure and non-covalent inter-actions.
- Author
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Temesgen AW, Tskhovrebov AG, Artemjev AA, Kubasov AS, Novikov AS, Borisov AV, Kirichuk AA, Kritchenkov AS, and Le TA
- 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, C
12 H9 N2 Se2 + ·Cl- ·0.352CH2 Cl2 , 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 head-to-tail fashion surrounding disordered di-chloro-methane mol-ecules. 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 inter-actions., (© Temesgen et al. 2024.)- Published
- 2024
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