Quantitative Lattice Energy Analysis of Intermolecular Interactions in Crystal Structures of Some Benzimidazole Derivatives

• DOI: 10.13005/ojps05.01-02.08
• Publication Date: 2021-11-11T11:08:17Z
• Authors: Gopal Sharma; Rajni Kant
• Keywords: Benzimidazole; Interaction energy; Moiety; Intermolecular interaction; Crystal (programming language)

The benzimidazole moiety found in a large number of biologically important drugs has not been completely realized as yet respect its strength and directionality molecular interactions. To understand the role played by intermolecular interactions derivatives, lattice energy series five molecules computed results accrued thereof have discussed. Analysis packing based on interaction energies suggests existence different pairs that play an stabilization crystal structures. Interaction analysis such motifs reveals type N-H…N C-H…N happen to be major contributors unit cell. N-H…π C-H…π edge-to-face stacking also contribute significantly packing. hydrogen bonds link into centrosymmetric dimers making contribution -14 -18.52 kcal/mol towards stabilization, whereas range -2 -5 kcal/mol. Additionally, π…π investigated stabilization.