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Synthesis and crystal structure of [1,3-N,N-bis{2,6-diisopropylphenyl}imidazol-2-ylidene]chloro-[N,N-dimethylbenzylamine-2-C,N]palladium(II)

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The title compound 1 has been synthesized and its structure has been determined by single-crystal X-ray methods. Crystal data: C36H48ClN3Pd, M = 664.62, monoclinic, space group P21/n with a = 11.857(5), b = 21.042(8), c = 14.632(6) Å,  = 106.492(5), Z = 4, V = 3501(2) Å3, Dc = 1.261 g cm-3, (Mo-Kα) = 0.633 mm-1, F(000) = 1392; final R and wR = 0.0412 and 0.0889, respectively, for 3265 observed reflections with I ≥ 2(I). The Pd(II) atom has distorted square planar geometry, due to the bulk of the isopropyl groups on the NHC ligand. Positioning of the carbenic carbon trans to the amino group and the metalated carbon trans to chlorine is consist with the trans influence.
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Keywords: Cyclopalladation; N-Heterocyclic carbene; X-ray structure

Document Type: Research Article

Affiliations: 1: College of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350007, China 2: State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Dalian 116023, China 3: College of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350007, China,State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Dalian 116023, China

Publication date: January 1, 2007

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