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Abstract <p>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⋯N hydrogen bonds in the structures of imidazole crystals are analyzed.</p>

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Non-Covalent Interactions in α- and β-Imidazole Structures

  • 期刊论文

  • 发表日期：

    2025年1月1日

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  • M. O. Karasev,
  • I. N. Karaseva,
  • D. V. Pushkin,
  • S. V. Kurbatova

摘要

Abstract

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⋯N hydrogen bonds in the structures of imidazole crystals are analyzed.