Synthesis and crystal structure of di­bromido­bis­[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-yl­idene]palladium(II)

Abstract

The synthesis and structure of di-bromido-bis-[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-yl-idene]palladium(II), [PdBr2(C11H14N4)2] (I), a triazolium-containing N-heterocyclic carbene (NHC), are presented. The compound was prepared by the direct base-free reaction of 1-butyl-4-(pyridin-2-yl)-1,2,4-triazolium bromide with Pd2(dba)3. The title compound crystallizes with the symmetry of space group P21/c, with the PdII atom on a centre of inversion, adopting a square-planar trans geometry. The structure is extensively disordered as a result of a ∼180° flip of the triazolium ligands, which effectively superimposes disordered n-butyl and pyridyl components. In the crystal, supra-molecular inter-actions include pairs of inter-molecular C-H⋯N weak hydrogen bonds between inversion-related pyridine rings [R22(6) motifs] to form mono-periodic chains parallel to [101]. There is also π-stacking of inversion-related triazole rings, which propagate to form chains in the [100] direction.

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