1,1'-联萘-2,2'-二胺的两种同质异晶的晶体结构及其Hirshfeld Surfaces分析

Structures and Hirshfeld Surface Analysis of Two Polymorphisms of 1,1'-Binaphthalene-2,2'-diamine

设计合成了1,1'-联萘-2,2'-二胺的两种同质异晶,利用X-单晶衍射对其单晶结构进行表征,并对其Hirshfeld surfaces进行了分析。结果表明,分子间的弱作用力在化合物的超分子自组装中起着关键作用。

Two polymorphisms of 1,1＇-binaphthalene-2,2＇-diamine was prepared, and characterized by single-crystal X-ray diffraction and Hirshfeld surfaces analysis, respectively. The crystal structure analyses show that there are various weak forces among the molecules, such as C/N-H…π, N-H…N hydrogen bond interaction and π-π stacking interaction, which play a key role in the assembly of supramolecular networks. A thorough analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions in 1a and 1b, which are crucial in building supramolecular architectures.