Abstract Three diisobutylaminomethylated calix[4]resorcinarenes 4 – 6 were synthesized by the condensation reaction of resorcinarenes 1 – 3 with diisobutylamine and an excess of formaldehyde. The crystals and supramolecular structures of compounds 4 – 6 were determined by single crystal X-ray diffraction along with proton nuclear magnetic resonance spectroscopy. The resorcinarene molecules occur in the crystal in the bowl-like form, are stabilized by a collar of exquisite intramolecular hydrogen bonding networks which all proceed in the same direction around the upper rim of the macrocycle. Four amino groups involved in intramolecular hydrogen bonding enlarge the intramolecular cavity of the resorcinarene, which form an encapsulating with “lid” over an included CH 2 Cl 2 guest molecule. Adjacent molecules of compounds 4 – 6 connect through intermolecular hydrogen bonds, which rotated and localized to a staggered orientation in order to minimize the steric repulsion between them. Graphic abstract Dichloromethane acts as the guest molecule for the self-assembly of diisobutyaminomethylated calix[4]resorcinarenes supramolecular structures.

中文翻译：

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二异丁基氨基甲基化杯[4]间苯二酚的超分子结构和晶体稳定性

摘要 通过间苯二芳烃 1-3 与二异丁胺和过量甲醛的缩合反应合成了三种二异丁基氨基甲基化杯[4]间苯二酚 4-6。化合物 4-6 的晶体和超分子结构由单晶 X 射线衍射和质子核磁共振光谱确定。间苯二酚分子以碗状形式出现在晶体中，由精致的分子内氢键网络的轴环稳定，这些网络都围绕大环的上边缘沿相同方向前进。参与分子内氢键的四个氨基扩大了间苯二酚的分子内腔，在包含的 CH 2 Cl 2 客体分子上形成带有“盖子”的包封。化合物 4-6 的相邻分子通过分子间氢键连接，氢键旋转并定位到交错方向，以最大限度地减少它们之间的空间排斥。图形摘要 二氯甲烷作为客体分子用于二异丁氨基甲基化杯[4]间苯二酚超分子结构的自组装。