Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E,5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) allyliden) thiazolidin-4-one

•New thiazolidinone derivative was synthesized and characterized by 1H and 13C NMR.•Its molecular structure has been determined by X-ray crystallography and DFT.•To display the intermolecular interactions, the Hirshfeld surface, and RDG were used.•B3LYP and CAM- B3LYP functionals were used to study HOMO-LUMO, GRCD, and MEP.•Thermodynamic properties were calculated.•Static and dynamic nonlinear optical parameters were predicted using DFT approach.