(SC, RS)-Bromido-(N-{4-methyl-1-[(4-methyl-phenyl)sul-fan-yl]-pentan-2-yl}- N'-(pyridin-2-yl)imidazol-2-yl-idene)palladium(II) bromide

IUCrdata. 2024 Apr 26;9(Pt 4):x240360. doi: 10.1107/S2414314624003602. eCollection 2024 Apr.


The mol-ecule of the title NCNHCS pincer N-heterocyclic carbene palladium(II) complex, [PdBr(C21H25N3S)]Br, exhibits a slightly distorted square-planar coordination at the palladium(II) atom, with the five-membered chelate ring nearly planar. The six-membered chelate ring adopts an envelope conformation. Upon chelation, the sulfur atom becomes a stereogenic centre with an RS configuration induced by the chiral carbon of the precursor imidazolium salt. There are intra-molecular C-H⋯Br-Pd hydrogen bonds in the structure. The two inter-stitial Br atoms, as the counter-anion of the structure, are both located on crystallographic twofold axes and are connected to the complex cations via C-H⋯·Br hydrogen bonds.

Keywords: N-heterocyclic carbene; crystal structure; hydrogen bonds; palladium(II).

Grants and funding

Funding for this research was provided by: the Natural Science Foundation of Henan Province (grant No. 242300420186).