Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1- b ]thia-zol-2-yl)(4-chlorophen-yl)methanone.

Abstract

Thia-zolo[3,2-a]benzimidazole derivatives are biologically important heterocycles with diverse pharmacological activities such as anti-cancer and anti-inflammatory. The compound, C16H9ClN2OS, crystallizes in the monoclinic space group P21/c with two conformationally similar mol-ecules (Z' = 2) in the asymmetric unit. The fused thia-zolo[3,2-a]benzimidazole framework is essentially planar, while the 4-chloro-benzoyl ring is inclined by ∼53° to the thia-zole ring in both mol-ecules. The crystal packing is consolidated by C-H⋯N hydrogen bonds, C-H⋯π contacts, and π-π stacking inter-actions, forming a three-dimensional supra-molecular framework. Hirshfeld surface analysis indicates that H⋯H, H⋯C/C⋯H, H⋯Cl/Cl⋯H, H⋯N/N⋯H, and H⋯O/O⋯H contacts dominate the inter-molecular inter-actions.

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