Crystal Structure, Packing, and Analysis of Hirshfeld Surfaces of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one

Abstract

Crystal and molecular structures of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazole-1(2H)-one obtained by condensing 4-oxo-4-(p-tolyl)butane acid with 2-aminothiophenol are studied using XRD spectroscopy. The crystal of compound 1 occurs in the form of two crystallographically independent molecules. The crystal has no hydrogen bonds and stacking interactions, but the analysis of Hirshfeld surfaces shows that the molecules are weakly stabilized by non-covalent interactions between oxygen atoms and hydrogen atoms of methyl groups as well as by the interactions between hydrogen atoms and carbon atoms of the benzothiazole fragment.