Abstract
We report the design, synthesis, and cytotoxic evaluation of a new organoruthenium(II) complex (1). Complex 1 was characterized by analytical and spectroscopic methods including single crystal X‐ray diffraction studies. Complex 1 crystallized in an orthorhombic crystal system with Pca21 space group with Ru(II) ion p‐cymene arene unit in a usual “piano‐stool” geometry. The DFT and TDFT studies were carried out to provide better insight about the spectral properties of the complex. The Hirshfeld surface analysis plots revealed significant intermolecular interactions within the crystal structure that essentially involve a network of N–H···H, O–H···O, and C–H···O linkages. DNA photocleavage activity revealed oxidative mechanistic pathway with preferential affinity toward minor groove. Cytotoxic studies of complex 1 via SRB assay revealed moderate but selective activity toward pancreatic and cervical cancer cell lines.
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