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Updated: May 23, 2025

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
Synthesis, structural characterization, Hirshfeld surface analysis and QTAIM analysis of
Alexander A Sapronov1, Evgeny A Dukhnovsky1, Alexey S Kubasov2
1Peoples' Friendship University of Russia, 6 Miklukho-Maklaya Street, Moscow, 117198, Russia.
Abstract:
The title compound, C11H6N3SSe+·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.
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