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Packing Similarities and Synthon Variabilities in Aminopyridinium Sulfoisophthalates

机译:氨基吡啶磺基间苯二甲酸酯的包装相似性和合成子变异

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摘要

Different salts of 5-sulfoisophthalic acid with aminosubstituted monocyclic Lewis bases, 2-aminipyridine, 3-aminopyridine, 4-aminopyridine, 2,6-diaminopyridine, have been prepared and studied by means of X-ray crystallography, Fourier transform infrared and Raman spectroscopy, and thermogravimetric-differential thermal analysis and differental scanning calorimetry methods. The crystal networks have been analyzed in view of competitive hydrogen bond interactions issued between multiple functional groups in different topological and stoichiomeric combinations allowing for formation of variable synthons. A statistical analysis of the most prominent homo- and heteromeric motifs, which can be formed between the functional groups, has been performed with the use of the Mercury Solid Form module in order to look for preferred interactions in extended network formation. Eighteen different synthons are used in the presented crystal networks, some of which are really prolific and others are unique. The role of water molecule for the network formations using four different water synthons is also elucidated.
机译:制备了5-磺基间苯二甲酸与氨基取代的单环路易斯碱,2-氨基吡啶,3-氨基吡啶,4-氨基吡啶,2,6-二氨基吡啶的不同盐,并通过X射线晶体学,傅立叶变换红外光谱和拉曼光谱进行了研究。 ,热重差热分析和差示扫描量热法。考虑到在不同的拓扑结构和化学异构组合中多个官能团之间产生的竞争性氢键相互作用,分析了晶体网络,从而形成了可变的合成子。为了寻找扩展网络形成过程中的优选相互作用,已经使用Mercury Solid Form模块对可以在官能团之间形成的最突出的同型和异型基序进行了统计分析。所呈现的晶体网络中使用了18种不同的合成子,其中一些确实是多产的,而另一些则是独特的。还阐明了水分子在使用四种不同水合成子的网络形成中的作用。

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