IUCrData (Apr 2024)

(SC,RS)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide

  • Xianggui Zeng,
  • Yanze Xu,
  • Shuling Guo,
  • Yongmei Xiao,
  • Jinwei Yuan,
  • Liangru Yang

DOI
https://doi.org/10.1107/S2414314624003602
Journal volume & issue
Vol. 9, no. 4
p. x240360

Abstract

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The molecule 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 intramolecular C—H...Br—Pd hydrogen bonds in the structure. The two interstitial 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.

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