Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties
Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties
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DOI：
10.1039/d0ce01576h
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发表时间：
2021
期刊：
影响因子：
3.1
通讯作者：
Masahide Tominaga;T. Hyodo;Yuya Hikami;K. Yamaguchi
中科院分区：
文献类型：
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作者：
Masahide Tominaga;T. Hyodo;Yuya Hikami;K. Yamaguchi
卤素⋯卤素接触是相当重要的分子间相互作用。以3,6 - 二氯哒嗪和带有氯酚部分的二取代金刚烷为原料，合成了一种含哒嗪部分的基于金刚烷的大环化合物（1），产率为57%，它是一种新的主体分子。化合物1在各种溶剂中结晶得到六种包合物晶体。大环骨架具有一个近乎六边形且带空腔的结构，并组装成由带有通道的层状结构组成的各种网络结构。在含有环醚的晶体中，观察到1的所有氯原子之间存在卤素⋯卤素相互作用。同时，在含有卤代甲烷和芳香族化合物的晶体中，交替且部分地出现了C - H⋯Cl相互作用。
Halogen⋯halogen contacts are considerably important intermolecular interactions. An adamantane-based macrocycle with pyridazine moieties (1) was synthesized from 3,6-dichloropyridazine and disubstituted adamantane possessing chlorophenol moieties in 57% yield as a new host molecule. The crystallization of 1 in various solvents afforded six inclusion crystals. The macrocyclic framework had a nearly hexagonal structure with a cavity, and was assembled into various network structures composed of layer architectures bearing channels. In crystals containing cyclic ethers, halogen⋯halogen interactions between all chlorine atoms of 1 were observed. Meanwhile, in crystals containing halomethanes and aromatic compounds, CH⋯Cl interactions alternately and partially appeared.