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[N,N'-双-(4-甲基-苯基)-1,2-二苯基-乙烷-1,2-二亚胺-κ(2) N,N']二氯钯(II) 甲醇单溶剂合物的晶体结构

Crystal structure of [N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine-κ(2) N,N']di-chlorido-palladium(II) methanol monosolvate.

作者信息

Peñaloza Alfredo, Fronczek Frank R, Isovitsch Ralph

机构信息

13406 Philadelphia Street, Whittier College, Department of Chemistry, Whittier College, Whittier, CA 90601, USA.

Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Aug 15;71(Pt 9):m164-5. doi: 10.1107/S2056989015014851. eCollection 2015 Sep 1.

Abstract

The title compound, [PdCl2(C28H24N2)]·CH3OH, was pre-pared from the reaction of PdCl2(DMSO)2 (DMSO is di-methyl sulfoxide) and N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine in methanol. The chelating di-imine core of the title compound deviates slightly from planarity, with an N-C-C-N torsion angle of 5.3 (3)°. Delocalization in the di-imine core is indicated by N-C and C-C bonds that are, respectively, longer and shorter than those found in related nonchelating di-imines. The distorted square-planar coordination environment around the Pd(II) atom is manifested as bond angles that are smaller and larger than 90°, and palladacycle torsion angles of -173.22 (16) and 167.06 (16)°. These deviations are attributed to the small bite angle of 79.13 (8)° of the di-imine chelate. The crystal packing exhibits weak inter-molecular hydrogen-bonding inter-actions involving aromatic H atoms, Cl atoms and inter-calated methanol solvent mol-ecules, defining layers parallel to (010).

摘要

标题化合物[PdCl₂(C₂₈H₂₄N₂)]·CH₃OH是由PdCl₂(DMSO)₂(DMSO为二甲基亚砜)与N,N'-双(4-甲基苯基)-1,2-二苯基乙烷-1,2-二亚胺在甲醇中反应制备而成。标题化合物的螯合二亚胺核心略微偏离平面,N-C-C-N扭转角为5.3 (3)°。二亚胺核心中的离域作用表现为N-C键和C-C键分别比相关非螯合二亚胺中的键长和键短。Pd(II)原子周围扭曲的平面正方形配位环境表现为键角小于和大于90°,以及钯环扭转角为-173.22 (16)°和167.06 (16)°。这些偏差归因于二亚胺螯合物79.13 (8)°的小咬角。晶体堆积表现出涉及芳香H原子、Cl原子和插层甲醇溶剂分子的弱分子间氢键相互作用,形成平行于(010)的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c8d/4555432/96a69f5dd508/e-71-0m164-fig1.jpg

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