Two-Dimensional Networks of Thiocyanuric Acid and Imine Bases Assisted by Weak Hydrogen Bonds
Two-Dimensional Networks of Thiocyanuric Acid and Imine Bases Assisted by Weak Hydrogen Bonds
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DOI：
10.1021/acs.cgd.9b01055
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发表时间：
2019-10-01
影响因子：
3.8
通讯作者：
Champness, Neil R.
中科院分区：
文献类型：
--
作者：
Argent, Stephen P.;Golden, Emma;Champness, Neil R.
报道了硫氰尿酸（TCA）和五种多位碱的共晶，并比较了它们的结构。所有五种共晶的加合物形成堆叠或互穿的二维氢键片。 TCA 和 N-杂环碱基之间的强 N-H 中心点 N 氢键由一对较长、较弱的 C-H 中心点中心点中心点 S 氢键补充，从而产生让人想起在酰亚胺和氨基吡啶之间观察到的互补三氢键的基序。观察到 TCA 在加合物中发挥不同的作用：与三嗪的 3 倍节点，与吡嗪、2,7-二氮杂芘和 DABCO 表现出 4 倍连接的二聚体连接，以及与 1,2-二（4-吡啶基）乙烯的延伸带。弱的 C-H 中心点中心点 S 氢键很容易扭曲，以适应与吡嗪和 DABCO 的加合物中有利的堆积排列，这表明这些弱 C-H 中心点中心点中心点 S 相互作用在拓扑方向上具有有限的作用。
Co-crystals of thiocyanuric acid (TCA) and five multitopic bases are reported, and their structures are compared. The adducts of all five co-crystals form two-dimensional hydrogen-bonded sheets that are either stacked or interpenetrated. Strong N-H center dot center dot center dot N hydrogen bonds between TCA and the N-heterocyclic bases are supplemented by pairs of longer, weaker C-H center dot center dot center dot S hydrogen bonds resulting in a motif reminiscent of the complementary triple hydrogen bond observed between imides and aminopyridines. TCA is observed to fulfill different roles in the adducts: a 3-fold node with triazine, a dimer junction exhibiting 4-fold connectivity with pyrazine, 2,7-diazapyrene, and DABCO, and an extended ribbon with 1,2-di(4-pyridyl)ethylene. The weak C-H center dot center dot center dot S hydrogen bonds are seen to be readily distorted to accommodate favorable packing arrangements in the adducts with pyrazine and DABCO, suggesting these weak C-H center dot center dot center dot S interactions possess a limited role in the direction of topology.