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

Authors :
Lobana TS
Thakur B
Aggarwal R
Butcher RJ
Zeller M
Jasinski JP
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Jan 10; Vol. 79 (Pt 2), pp. 79-84. Date of Electronic Publication: 2023 Jan 10 (Print Publication: 2023).
Publication Year :
2023

Abstract

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 H -benzimidazole-2-thiol-ato)-κ <superscript>2</superscript> N <superscript>3</superscript> : S ;κ <superscript>2</superscript> S : N <superscript>3</superscript> -bis-[cyanido(tri-phenyl-phosphine-κ P )palladium(II)], [Pd <subscript>2</subscript> (C <subscript>7</subscript> H <subscript>5</subscript> N <subscript>2</subscript> S) <subscript>2</subscript> (CN) <subscript>2</subscript> (C <subscript>18</subscript> H <subscript>15</subscript> P) <subscript>2</subscript> ] or [Pd <subscript>2</subscript> (μ- N , S -bzimtH) <subscript>2</subscript> (CN) <subscript>2</subscript> (PPh <subscript>3</subscript> ) <subscript>2</subscript> ] ( 1 ), and bis-(μ-1 H -imidazole-2-thiol-ato)-κ <superscript>2</superscript> N <superscript>3</superscript> : S ;κ <superscript>2</superscript> S : N <superscript>3</superscript> -bis-[cyanido(tri-phenyl-phosphine-κ P )palladium(II)] aceto-nitrile 0.58-solvate, [Pd <subscript>2</subscript> (C <subscript>3</subscript> H <subscript>3</subscript> N <subscript>2</subscript> S) <subscript>2</subscript> (CN) <subscript>2</subscript> (C <subscript>18</subscript> H <subscript>15</subscript> P) <subscript>2</subscript> ]·0.58C <subscript>2</subscript> H <subscript>3</subscript> N or [Pd <subscript>2</subscript> (μ- N , S -imtH) <subscript>2</subscript> (CN) <subscript>2</subscript> (PPh <subscript>3</subscript> ) <subscript>2</subscript> ]·0.58C <subscript>2</subscript> H <subscript>3</subscript> N ( 2 ). The compound [Pd <subscript>2</subscript> (μ- N , S -bzimtH) <subscript>2</subscript> (CN) <subscript>2</subscript> (PPh <subscript>3</subscript> ) <subscript>2</subscript> ] is located on a crystallographic twofold axis while [Pd <subscript>2</subscript> (μ- N , S -imtH) <subscript>2</subscript> (CN) <subscript>2</subscript> (PPh <subscript>3</subscript> ) <subscript>2</subscript> ]. 0.58(C <subscript>2</subscript> H <subscript>3</subscript> 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 <superscript>-</superscript> and imtH <superscript>-</superscript> 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 <subscript>3</subscript> 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 2 , 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.<br /> (© Lobana et al. 2023.)

Details

Language :
English
ISSN :
2056-9890
Volume :
79
Issue :
Pt 2
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
36793404
Full Text :
https://doi.org/10.1107/S2056989023000166