Abstract A new copper (II) mono-dimensional coordination polymer based on 2,5-bis(pyridine-2-yl)-1,3,4-thiadiazole (L) as bridging ligand, noted [CuLCl2]n, has been synthesized by reaction of L with copper salt (CuCl2·2H2O) and characterized by single crystal X-ray diffraction, Hirshfeld surface analysis, as well as UV–Visible, and FTIR techniques. The copper cation lies on an inversion centre and displays elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two ligands, whereas the axial positions are occupied by the chlorine atoms. The 1,3,4-thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.330 (2) A. The Cu2+ cations form the infinite chains parallel to c-axis and the organic molecules are linked to Cu atoms in zigzag chains building an infinity tape running along [0 0 1] direction. The cohesion of the polymeric complex structure is ensured by C–H⋯Cl weak hydrogen bonds and π–π interactions between pyridyl and thiadiazole rings forming a three-dimensional structure, as established by Hirshfeld surface analysis. This new 1-D copper coordination polymer exhibited elevated antimicrobial activity against several strains of the fungal phytopathogens Verticillium dahliae and Fusarium oxysporum fsp. melonis suggesting its use as a fungicide in crop protection.

中文翻译：

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基于 2,5-双(吡啶-2-基)-1,3,4-噻二唑作为桥连配体的新型一维铜 (II) 配位聚合物：合成、晶体结构、Hirshfeld 表面分析、光谱表征和生物学评估

摘要 合成了一种基于 2,5-双(吡啶-2-基)-1,3,4-噻二唑 (L) 作为桥连配体的新型铜 (II) 单维配位聚合物 [CuLCl2]n。通过 L 与铜盐 (CuCl2·2H2O) 的反应，并通过单晶 X 射线衍射、Hirshfeld 表面分析以及紫外-可见光和 FTIR 技术表征。铜阳离子位于反转中心并显示出细长的八面体配位几何形状。赤道位置被两个配体的 N 原子占据，而轴向位置被氯原子占据。1,3,4-噻二唑和与金属连接的吡啶环大致共面，与平均平面的最大偏差为 0.330 (2) A。Cu2+ 阳离子形成平行于 c 轴的无限链，有机分子以锯齿形链与 Cu 原子相连，形成沿 [0 0 1] 方向延伸的无限带。正如 Hirshfeld 表面分析所确定的那样，聚合物复合物结构的内聚力是由 C-H⋯Cl 弱氢键和吡啶环和噻二唑环之间的 π-π 相互作用形成的三维结构确保的。这种新的一维铜配位聚合物对几种真菌植物病原体 Verticillium dahliae 和 Fusarium oxysporum fsp 具有增强的抗菌活性。melonis 建议将其用作作物保护中的杀菌剂。正如 Hirshfeld 表面分析所确定的那样，聚合物复合物结构的内聚力是由 C-H⋯Cl 弱氢键和吡啶环和噻二唑环之间的 π-π 相互作用形成的三维结构确保的。这种新的一维铜配位聚合物对几种真菌植物病原体 Verticillium dahliae 和 Fusarium oxysporum fsp 具有增强的抗菌活性。melonis 建议将其用作作物保护中的杀菌剂。正如 Hirshfeld 表面分析所确定的那样，聚合物复合物结构的内聚力是由 C-H⋯Cl 弱氢键和吡啶环和噻二唑环之间的 π-π 相互作用形成的三维结构确保的。这种新的一维铜配位聚合物对几种真菌植物病原体 Verticillium dahliae 和 Fusarium oxysporum fsp 具有增强的抗菌活性。melonis 建议将其用作作物保护中的杀菌剂。