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Updated: Jun 1, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
3-(Benzothia-zol-2-yl)-3-(prop-2-yn-yl)hex-5-yn-2-one
Abstract:
The title compound, C(16)H(13)NOS, was prepared by alkyl-ation of 1-(benzothia-zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol-ecules that are crystallographically independent but linked to each other by non-classical C-H⋯O hydrogen bonds, building up a dimeric substructure. The benzothia-zole rings are essentially planar with maximum deviations of 0.005 (1) and 0.007 (2) Å for the N atoms. Although the two mol-ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia-zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter-molecular C-H⋯O inter-actions link the dimeric subunits into a two-dimensional array in the bc plane.
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