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Updated: May 9, 2026
Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
Two (methyl-sulfan-yl)benzyl-derivatized palladium-N-heterocyclic carbene complexes - same formula type but not
Matthias Weil1, Laura Ielo2, Prasad M Kathe2
1Institute for Chemical Technologies and Analytics, Division of Applied Solid State Chemistry, TU Wein, Getreidemarkt 9/E164-05-1, 1060 Vienna, Austria.
None:
Although the two title palladium-N-heterocyclic carbene (Pd-NHC) complexes, namely, di-chlorido-{1-methyl-3-[2-(methyl-sulfan-yl)benz-yl]-2H-imidazol-2-yl-idene-κC 2}(pyridine-κN)palladium(II) and di-bromido-{1-methyl-3-[2-(methyl-sulfan-yl)benz-yl]-2H-imidazol-2-yl-idene-κC 2}(pyridine-κN)palladium(II), have the same formula type [PdX 2(C5H5N)(C12H14N2S)] (X = Cl and Br), and the conformations of the corresponding mol-ecules are very similar, they crystallize in different space-group types: the PdCl2 complex in P1 with Z = 4 and two mol-ecules in the asymmetric unit, and the PdBr2 complex in C2/c with Z = 8 and one mol-ecule in the asymmetric unit. The symmetry relationship between the two crystal structures is of translationengleiche type with index 2 (t2). In both mol-ecular structures, the central palladium(II) atom has a slightly distorted square-planar coordination environment with the C- and N-bound organic ligands in a trans arrangement. In the crystals, weak C-H⋯X inter-actions lead to the formation of supra-molecular layers parallel to (010) for the PdCl2 complex and (100) for the PdBr2 complex.
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