Synthesis, spectroscopic characterization, single crystal, theoretical investigation, and biological screenings of azo-based moieties

•Two new azo based compounds were synthesized and characterized by Spectro analytical techniques.•The intermolecular interactions in compounds 1 and 2 were investigated by Hirshfeld surface analysis.•The results of DPPH activity indicate that the azo compounds exhibit moderate scavenging activity compared to ascorbic acid the enhancement in biological activities was attributed to the tributyl groups linked to the tin atom.•The photochemical isomerization behavior of compound 1 shows a reversible trans–cis isomerization upon photo-irradiation of UV light.•The FMOs and MEPs as calculated through quantum chemical calculations are used to explain ground state electronic charge distributions and reactivity tendencies among both compounds.