Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1- b ]thiazol-2-yl)(4-chlorophenyl)methanone
Year: 2026
Type: article
Abstract: Thiazolo[3,2- a ]benzimidazole derivatives are biologically important heterocycles with diverse pharmacological activities such as anticancer and anti-inflammatory. The compound, C 16 H 9 ClN 2 OS, crystallizes in the monoclinic space group P 2 1 / c with two conformationally similar molecules ( Z ′ = 2) in the asymmetric unit. The fused thiazolo[3,2- a ]benzimidazole framework is essentially planar, while the 4-chlorobenzoyl ring is inclined by ∼53° to the thiazole ring in both molecules. The crystal packing is consolidated by C—H...N hydrogen bonds, C—H...π contacts, and π–π stacking interactions, forming a three-dimensional supramolecular 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 intermolecular interactions.
Institution: SASTRA University
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7216169317