Abstract The 2-acetylpyridine-ethylcarbazate ligand (HL) formed four metal complexes, [Cu(HL)Cl2]⋅H2O (1), [Cu(HL)Br2]⋅H2O (2), [Zn(HL)Cl2] (3) and [Ni(L)2]⋅H2O (4). The carbazate and their metal complexes have been investigated by single crystal X-ray analysis, physicochemical, and spectroscopic methods. The Schiff base is coordinated to the metal ions as an anionic bi or tridentate ligand with the Z configuration about the imine C = N at the carbazate. Interactions in the crystal structures were analyzed using Hirshfeld surfaces and the 2D-fingerprint plots. Complexes 1, 2, and 3 present π⋅⋅⋅π stacking between the pyridyl rings with inter-centroid separations of 3.664(3)–3.887(2) Å. The water solvent molecules and the halogens allow the formation of intramolecular hydrogen bonds which close supramolecular structures in the molecular packing of the complexes. Free HL and 1–4 have been evaluated for antibacterial and antifungal activity against several multi-resistant bacteria and fungi. Significant antimicrobial activity of the complexes was observed; however, the free ligand and its complexes did not reveal any activity against some of the tested organisms. Graphical Abstract

中文翻译：

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具有 2-乙酰基吡啶-乙基氨基甲酸酯的过渡金属配合物：其结构中的非共价相互作用和抗菌研究

摘要 2-乙酰基吡啶-乙基氨基甲酸酯配体（HL）形成了四种金属配合物，[Cu(HL)Cl2]⋅H2O (1), [Cu(HL)Br2]⋅H2O (2), [Zn(HL)Cl2] ( 3) 和 [Ni(L)2]⋅H2O (4)。已经通过单晶 X 射线分析、物理化学和光谱方法研究了氨基甲酸酯及其金属配合物。席夫碱作为阴离子双齿或三齿配位体与金属离子配位，其 Z 构型在氨基甲酸酯上的亚胺 C = N 附近。使用 Hirshfeld 表面和 2D 指纹图分析晶体结构中的相互作用。配合物 1、2 和 3 在吡啶环之间呈现 π⋅⋅⋅π 堆积，质心间距为 3.664(3)–3.887(2) Å。水溶剂分子和卤素允许形成分子内氢键，其封闭复合物分子堆积中的超分子结构。已经评估了游离 HL 和 1-4 对几种多重耐药细菌和真菌的抗菌和抗真菌活性。观察到复合物的显着抗微生物活性；然而，游离配体及其复合物没有显示出对某些测试生物的任何活性。图形概要