Divalent zinc complex of succinylsulfathiazole: Synthesis, spectral, molecular structure, DNA interaction profile and Hirshfeld surface analysis

摘要: Abstract The zinc complex of succinylsulfathiazole with coordinated 3-methyl pyridine (Zn-SST) was successfully synthesized using reflux method. Its chemical component and properties were determined by FT-IR technique. crystal structure the complex, [{Zn(SST)(3-methyl pyridine)2}(3-methyl pyridine)(H2O)] has been explored through single X-ray diffraction An asymmetric unit consists one molecule SST ligand, two molecules secondary along water free pyridine. metal Zn exhibits distorted tetrahedral coordination in molecular being to nitrogen atoms molecules, carbonyl oxygen O1 tail end bidentate ligand fourth is due hetero N3 thiazolate ring inversely related at -x + 1, -y + 1, -z. To have a better visualization intermolecular interactions within crystal, Hirshfeld surface (HS) analysis performed. Furthermore, lipophilicity index represents significant biological activity (log P = 3.75) molecule, correlates well contribution C…H/H…C (17%) interactions. Additionally, DNA interaction studies revealed that exhibited groove binding mode ct-DNA this nicely visualized docking studies.