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A new copper(II) complex containing triclopyr: one-pot crystallization, structure, conformation and Hirshfeld surface analyses
Zeitschrift für Kristallographie - Crystalline Materials ( IF 1.2 ) Pub Date : 2023-02-11 , DOI: 10.1515/zkri-2022-0063
Jun-Xia Li 1 , Shuai Ge 2 , Yi-Jing Lu 2 , Ke-Ying Quan 2 , Li-Bing Wu 2 , Ai-Rong Wang 3
Affiliation  

A new copper(II) complex [Cu(3,5,6-tcpa)(2,2-bipy)Cl] (1) has been obtained through the one-pot hydrothermal reaction of copper chloride dihydrate with triclopyr (systematic name 2-((3,5,6-trichloropyridin-2-yl)oxy)acetic acid, abbreviation 3,5,6-Htcpa) and 2,2′-bipyridine (2,2′-bipy) coligands. 1 has crystallized in triclinic crystal system, P 1 $\overline{1}$ space group. The central copper(II) ion displayed a distorted square–pyramidal geometry and was connected by one chlorido co-ligand (Clˉ), one 3,5,6-tcpa anionic chelator and one chelating 2,2-bipy ligand to afford a mononuclear structure. 1 is further extended into a 3D network by the non-covalent interactions of H⋯Cl, H⋯O hydrogen bonds, aromatic π⋯π stacking together with Cl⋯Cl halogen bond interactions. The co-crystallization process, the crystal structure of 1 as well as the Hirshfeld surface analysis for 1 have been analyzed and described. In addition, the flexible conformation of phenoxy methylene group among 1, triclopyr acid and its previously reported co-crystallized compound also have been carefully compared and discussed.

中文翻译:

一种含有绿草定的新型铜 (II) 配合物:单锅结晶、结构、构象和 Hirshfeld 表面分析

一种新的铜 (II) 络合物 [Cu(3,5,6-tcpa)(2,2-bipy)Cl] (1)由二水氯化铜与绿草定(学名2-((3,5,6-trichloropyridin-2-yl)oxy)acetic acid,简称3 ,5,6-Htcpa) 和 2,2'-联吡啶 (2,2'-bipy) 配体。1 属于三斜晶系,P 1个 $\上划线{1}$ 空间群。中心铜 (II) 离子显示出扭曲的方形金字塔几何形状,并由一个氯共配体 (Clˉ)、一个 3,5,6-tcpa 阴离子螯合剂和一个螯合剂 2,2 连接'-bipy配体提供单核结构。通过 H⋯Cl、H⋯O 氢键、芳香族 π⋯π 堆叠以及 Cl⋯Cl 卤素键相互作用的非共价相互作用,1 进一步扩展为 3D 网络。分析和描述了共结晶过程、1 的晶体结构以及 1 的 Hirshfeld 表面分析。此外,还对1,绿草吡酸及其先前报道的共结晶化合物中苯氧基亚甲基的柔性构象进行了仔细的比较和讨论。
更新日期:2023-02-11
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