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首页> 外文期刊>Journal of chemical crystallography >The simultaneous presence of different varieties of intermolecular hydrogen bonds in a new layer-type anionic host lattice built of thiourea, fumaric acid and fumarate anion
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The simultaneous presence of different varieties of intermolecular hydrogen bonds in a new layer-type anionic host lattice built of thiourea, fumaric acid and fumarate anion

机译:由硫脲,富马酸和富马酸根阴离子构建的新型层状阴离子主体晶格中同时存在不同种类的分子间氢键

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摘要

A new inclusion complex (n-C4H9) N-4(+) C4H3O4- center dot C4H4O4 center dot ( NH2)(2)CS has been prepared and characterized by X-ray crystallography. Crystal data: space group P (1) over bar, a = 8.799( 2) angstrom, b = 9.590( 1) angstrom, c = 18.684( 4) angstrom, alpha = 89.63( 1)degrees, beta = 79.56( 1)degrees, gamma = 79.74( 1) degrees, V = 1525.2( 5) angstrom(3), Z = 2, R-1 = 0.0562 and wR = 0.1033. In the title compound, thiourea molecules, fumaric acid and fumarate anions are joined together by typical O - H center dot center dot center dot O, N - H center dot center dot center dot O and N - H center dot center dot center dot S, plus weak C - H center dot center dot center dot O and C - H center dot center dot center dot S, hydrogen bonds to generate a hydrogen-bonded layer corresponding to the ( 100) family of planes. The tetra-n-butylammonium cations are orderly arranged in a sandwich-like packing mode between the stacked layers. The simultaneous presence of different varieties of intermolecular hydrogen bonds is an interesting feature of the title compound.
机译:制备了一种新的包合物(n-C4H9)N-4(+)C4H3O4-中心点C4H4O4中心点(NH2)(2)CS,并通过X射线晶体学对其进行了表征。晶体数据:棒上的空间群P(1),a = 8.799(2)埃,b = 9.590(1)埃,c = 18.684(4)埃,alpha = 89.63(1)度,beta = 79.56(1)度,伽玛= 79.74(1)度,V = 1525.2(5)埃(3),Z = 2,R-1 = 0.0562和wR = 0.1033。在标题化合物中,硫脲分子,富马酸和富马酸酯阴离子通过典型的O-H中心点中心点中心点O,N-H中心点中心点中心点O和N-H中心点中心点中心点S连接在一起。加上弱的C-H中心点中心点中心点O和C-H中心点中心点中心点S,氢键形成对应于(100)平面族的氢键合层。四正丁基铵阳离子在叠层之间以三明治状堆积方式有序排列。分子间氢键不同品种的同时存在是标题化合物的有趣特征。

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