Crystal structures of chemical compounds
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Abstract
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.
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@article{Vishal2026Crystal,
title = {Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1- b ]thiazol-2-yl)(4-chlorophenyl)methanone},
author = {R. Vishal and Vignesh Balaraman and Y. B. R. D. Rajesh and Sampath Natarajan},
journal = {Acta Crystallographica Section E Crystallographic Communications},
year = {2026},
doi = {10.1107/s2056989026010091},
url = {https://doi.org/10.1107/s2056989026010091}
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