Mol-ecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-yl-methyl-idene)thia-zolo[3,4-]benzimidazole-2-thione.

The thia-zolo[3,4-]benzimidazole fused-ring system in the title compound, CHNOS, is nearly planar, the r.m.s. deviation being 0.0073 Å. The thia-zolo-benzimidazole-2-thione system is almost in the same plane as the furan-2-yl-methyl-ene moiety, with a dihedral angle of 5.6 (2)° between the two least-squares planes. In the crystal, adjacent mol-ecules are connected by weak inter-molecular inter-actions (C-H⋯N and slipped π-π stacking) into a three-dimensional network. The nature of the inter-molecular inter-actions was also qu-anti-fied by Hirshfeld surface analysis. DFT analysis indicates a good agreement of the experimentally determined and the theoretically calculated mol-ecular structures.