首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >A new three-dimensional CdII supramolecular framework constructed from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand
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A new three-dimensional CdII supramolecular framework constructed from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand

机译:1-[(1H-四唑-5-基)甲基] -1,4-二氮杂双环[2.2.2]辛烷配体构建的新的三维CdII超分子框架

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摘要

A new tetrazole-metal supramolecular compound, di-μ-chlorido-bis(trichlorido{1-[(1H-tetrazol-5-yl-κN2)methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II)), [Cd2(C8H16N6)2Cl8], has been synthesized and structurally characterized by single-crystal X-ray diffraction. In the structure, each CdII cation is coordinated by five Cl atoms (two bridging and three terminal) and by one N atom from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand, adopting a slightly distorted octahedral coordination geometry. The bridging bicyclo[2.2.2]octane and chloride ligands link the CdII cations into one-dimensional ribbon-like N-H?Cl hydrogen-bonded chains along the b axis. An extensive hydrogen-bonding network formed by N-H?Cl and C-H?Cl hydrogen bonds, and interchain π-π stacking interactions between adjacent tetrazole rings, consolidate the crystal packing, linking the poymeric chains into a three-dimensional supramolecular network.
机译:一种新的四唑金属超分子化合物,二μ-氯代双(三氯代{1-[(1H-四唑-5-基-κN2)甲基] -1,4-二氮杂双环[2.2.2]辛烷}镉(II ))[Cd2(C8H16N6)2Cl8]已合成,并通过单晶X射线衍射对其结构进行了表征。在该结构中,每个CdII阳离子均由五个Cl原子(两个桥连和三个末端)和一个来自1-[((1H-四唑-5-基)甲基] -1,4-二氮杂双环[2.2]的N原子配位。 2]辛烷配体,采用稍微扭曲的八面体配位几何形状。桥接的双环[2.2.2]辛烷和氯化物配体将CdII阳离子沿b轴连接成一维带状N-H2Cl氢键结合链。由N-H2Cl和C-H2Cl氢键形成的广泛的氢键网络,以及相邻四唑环之间的链间π-π堆积相互作用,巩固了晶体堆积,将聚合物链连接成三维超分子网络。

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