Ozdemir, IsmailArslan, HakanDemir, SerpilVanDerveer, DonCetinkaya, Bekir2024-08-042024-08-0420111387-70031879-0259https://doi.org/10.1016/j.inoche.2011.02.001https://hdl.handle.net/11616/95295An N-heterocyclic carbene palladium-based complex, cis-dibromo{1,1'-di[3,4,5-trimethoxybenzyl]1-3,3'-butylenedibenzimidazol-2,2'-diylidene}palladium(II), has been synthesized and characterized by elemental analysis, IR spectroscopy and H-1- and C-13-NMR spectroscopy. The crystal and molecular structure of the title compound was determined by single-crystal X-ray diffraction. The title compound consists of a 1,1'-di[3,4,5-trimethoxybenzyl]-3,3'-butylenedibenzimidazole and two bromo ligands coordinated to a palladium atom in a distorted square-planar cis-system. Two benzoimidazole rings are connected to each other by a C4H8 bridge. The substituted benzimidazole ligand forms a bidentate chelate with palladium, bonding via the carbene carbon atoms. There are two independent molecules A and B in the asymmetric unit. The Pd-Br bonds are 2.4675(14) and 2.4601(13) angstrom, and the Pd-C-carbene bonds are 1.985(9) and 1.986(9) angstrom for molecule A. Each A and B molecule is stabilized with intra- and inter-molecular hydrogen bonds and C-H center dot center dot center dot n interactions. The palladium-carbene complex was tested as a catalyst in the direct arylation of benzothiazole with arylbromides. The most suitable reaction conditions for the direct arylation of benzothiazole with arylbromides are NMP, K3PO4, Pd-NHC and 130 degrees C. (C) 2011 Elsevier B.V. All rights reserved.eninfo:eu-repo/semantics/closedAccessN-heterocyclic carbenesBidentate palladium complexesCrystal structureArylation of benzothiazolePalladium catalystArticle14567267510.1016/j.inoche.2011.02.0012-s2.0-79954421131Q2WOS:000290460800014Q2