ABSTRACT

A terpyridyl-based binuclear Cu(II) complex, formulated as [Cu₂(tpy)₂(muco)(NO₃)₂], (1) (typ = 2,2’;6’,2”-terpyridine and H₂-muco = trans, trans-muconic acid) was synthesised in a single pot technique using slow evaporation method. Blue coloured distorted octahedral-shaped crystals were obtained after a day. Synthesised compound has been characterised by elemental analysis as well as single crystal X-ray diffraction (SCXRD) techniques. Hirshfeld surface analysis has been explored to check out the nature of intermolecular interactions and packing modes of compounds in the crystalline state. From the docking study, it has been found that the metal complex bind to the major groove of DNA and the planner aromatic pyridine ring of the ligand partially intercalate into the base pairs.

摘要

基于三联吡啶的双核 Cu(II) 配合物，公式为 [Cu ₂ (tpy) ₂ (muco)(NO ₃ ) ₂ ], ( 1 ) (typ = 2,2';6',2”-三联吡啶和 H ₂ -muco = 反式，反式-粘康酸）是使用慢速蒸发法在单罐技术中合成的。一天后得到蓝色扭曲的八面体形晶体。合成的化合物已通过元素分析以及单晶 X 射线衍射 (SCXRD) 技术进行了表征。已经探索了 Hirshfeld 表面分析，以检查分子间相互作用的性质和结晶态化合物的堆积模式。对接研究发现，金属配合物与DNA的大沟结合，配体的planner芳香吡啶环部分插入碱基对。