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二乙酸根双{[3-苄基-1-(2,4,6-三甲基苯基)咪唑-2-亚基]银(I)}

Di--acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}.

作者信息

Jayaraman Selvakumar, Guel Roberto Alexander Castillo, Malek Kotiba, Arumugam Kuppuswamy

机构信息

Department of Chemistry, Wright State University, 3640 Colonel Glenn Hwy, Dayton, OH, 45435, USA.

出版信息

IUCrdata. 2019 Jul;4(7). doi: 10.1107/s2414314619010034. Epub 2019 Jul 30.

Abstract

The title compound, [Ag(CHO)(CHN)] (), was readily synthesized by treatment of 3-benzyl-1-(2,4,6-trimethylphenyl)imidazolium chloride with silver acetate. The solution structure of the complex was analyzed by NMR spectroscopy, while the solid-state structure was confirmed by single-crystal X-ray diffraction studies. Compound crystallizes in the triclinic space group , with a silver-to-carbene bond length (Ag-C) of 2.084 (3) Å. The molecule resides on an inversion center, so that only half of the molecule is crystallographically unique. The planes defined by the two imidazole rings are parallel to each other, but not coplanar [interplanar distance is 0.662 (19) Å]. The dihedral angles between the imidazole ring and the benzyl and mesityl rings are 77.87 (12) and 72.86 (11)°, respectively. The crystal structure features - stacking interactions between the benzylic groups of inversion-related (- + 1, - + 1, - + 1) molecules and C-H interactions.

摘要

标题化合物[Ag(CHO)(CHN)]()通过用乙酸银处理3-苄基-1-(2,4,6-三甲基苯基)咪唑鎓氯化物易于合成。通过核磁共振光谱分析了该配合物的溶液结构,而通过单晶X射线衍射研究确定了固态结构。化合物以三斜空间群结晶,银与卡宾的键长(Ag-C)为2.084(3)Å。分子位于对称中心上,因此只有分子的一半在晶体学上是独特的。由两个咪唑环定义的平面相互平行,但不共面[平面间距离为0.662(19)Å]。咪唑环与苄基环和均三甲苯环之间的二面角分别为77.87(12)°和72.86(11)°。晶体结构的特征是在倒反相关的(- + 1, - + 1, - + 1)分子的苄基之间存在堆积相互作用以及C-H相互作用。

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