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.

中文翻译：

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半三明治Ru（II）-芳烃配合物的合成，结构研究和细胞毒性评估

我们报告了一种新型有机钌（II）复合物（1）的设计，合成和细胞毒性评估。配合物1的特征在于分析和光谱方法，包括单晶X射线衍射研究。配合物1在正交结构的晶体系统中结晶，具有Pca2 ₁空间群，且Ru（II）离子p常规的“钢琴凳”几何形状的cy烯芳烃单元。进行了DFT和TDFT研究，以提供有关复合物光谱特性的更好见解。Hirshfeld表面分析图揭示了晶体结构内的重要分子间相互作用，这些相互作用本质上涉及N–H··H，OH–·O和C–H··O键的网络。DNA的光裂解活性揭示了氧化机制途径，对小沟具有优先亲和力。通过SRB分析对复合物1的细胞毒性研究表明，其对胰腺和宫颈癌细胞系具有中等但选择性的活性。