Synthesis and structures of dinuclear palladium complexes with 1,3-benzimidazolidine-2-thione and 1,3-imidazoline-2-thione

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-02, Vol.79 (Pt 2), p.79-84
• Main Authors: Lobana, Tarlok S, Thakur, Bandana, Aggarwal, Rajni, Butcher, Ray J, Zeller, Matthias, Jasinski, Jerry P
• Format: Article
• Language: English
• Subjects: benzimidazolidine- 2-thione complexes; crystal structure; dinuclear palladium complexes; imidazoline-2-thione complexes; Research Communications
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989023000166

The synthesis and structures of dinuclear palladium complexes with 1,3-benz-imidazolidine-2-thione (bzimtH) and 1,3-imidazoline-2-thione (imtH) are reported, namely, bis-(μ-1 -benzimidazole-2-thiol-ato)-κ : ;κ : -bis-[cyanido(tri-phenyl-phosphine-κ )palladium(II)], [Pd (C H N S) (CN) (C H P) ] or [Pd (μ- , -bzimtH) (CN) (PPh ) ] ( ), and bis-(μ-1 -imidazole-2-thiol-ato)-κ : ;κ : -bis-[cyanido(tri-phenyl-phosphine-κ )palladium(II)] aceto-nitrile 0.58-solvate, [Pd (C H N S) (CN) (C H P) ]·0.58C H N or [Pd (μ- , -imtH) (CN) (PPh ) ]·0.58C H N ( ). The compound [Pd (μ- , -bzimtH) (CN) (PPh ) ] is located on a crystallographic twofold axis while [Pd (μ- , -imtH) (CN) (PPh ) ]. 0.58(C H N) contains two partially occupied aceto-nitrile solvent mol-ecules with occupancies of 0.25 and 0.33. In both of these compounds, the anionic bzimtH and imtH ligands coordinate through N,S-donor atoms in a bridging mode, covering four coordination sites of two metal centers and other two sites are occupied by two PPh ligand mol-ecules. Finally, the remaining two sites of two metal centers are occupied by cyano groups, abstracted by the metals from the solvent during reaction. In the packing of the 1,3-benzimidazolidine- 2-thione and 1,3-imidazoline-2-thione complexes, there are intra-molecular π-π inter-actions involving the thione moiety as well as an N-H⋯N hydrogen bond linking the thione and cyano ligands. In addition, in , as well as the π-π inter-action involving the thione moieties, there is an additional π-π inter-action involving one of the thione moieties and an adjacent phenyl ring from the tri-phenyl-phosphine ligand. There are also C-H⋯N inter-actions between the imidazoline rings and the aceto-nitrile N atoms.