The crystal structures, Hirshfeld surface analysis, and computational studies of (E)-2,2-dimethyl-4-(3-nitrostyryl)-2,3-dihydrobenzob1,4thiazepine(2) and (E)-2-(2-(2,2-dimethyl-2,3-dihydrobenzob1,4thiazepin-4-yl)vinyl)phenol (3) have been presented. Compound 2 crystallized in the monoclinic space group P21/c with 4 molecules in its unit cell whilst compound 3 crystallized in the triclinic space group P-1 with 2 molecules in its unit cell. A study of the compounds' Hirshfeld surfaces has been conducted to provide insight into their structural properties. A juxtaposition of the experimental and computed bond lengths and bond angles indicated good agreement among the bond length results with variable departures from amongst the bond angles.
Odame et al. (Tue,) studied this question.