NON-COVALENT INTERACTIONS IN α- AND β-IMIDAZOLE STRUCTURES

被引：0
作者：
Karasev, M. O. [1 ]
Karaseva, I. N. [2 ]
Pushkin, D. V. [1 ]
Kurbatova, S. V. [1 ]
机构：
[1] Samara Univ, Samara, Russia
[2] Samara State Tech Univ, Samara, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2025年 / 66卷 / 01期
关键词：
Voronoi-Dirichlet polyhedra; crystal chemical analysis; polymorphism; imidazole; POLYMORPHISM; PRINCIPLE; CRYSTALS;
D O I：
10.1134/S0022476625010093
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A crystal chemical analysis based on the stereoatomic model of crystal structures and Voronoi-Dirichlet polyhedra is performed to study non-covalent interactions in imidazole crystal structures determined for a wide range of pressures. It is established that the formation of various non-covalent contacts in imidazole crystal structures is determined by external pressure. It is shown that the area of Voronoi-Dirichlet molecular polyhedra depends on the external pressure. The topology of H-bonding between imidazole molecules and the influence of external pressure on the characteristics of N-H center dot center dot center dot N hydrogen bonds in the structures of imidazole crystals are analyzed.
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页码：97 / 107
页数：11
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