Synthesis, structure, hirshfeld surface analysis and antibacterial activities of [Cd(2-ampy)3(NCS)(μ1,5-SCN)]2 and [Cd(4-ampy)2(μ1,5-dca)2]n complexes (2-ampy = 2-aminopyridine, 4-ampy = 4-aminopyridine, NCS = thiocyanate, dca = dicyanamide)

Husni Wahyu Wijaya , Galih Candra Nugraha , Viona Dinda Alfian , Ubed Sonai Fahruddin Arrozi , Meyga Evi Ferama Sari , Sutandyo Dwija Laksmana , Faaza'izzahaq Setta Putra , I Wayan Dasna
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Abstract

The complexes [Cd(2-ampy)3(NCS)(μ-SCN)]2 (1) and [Cd(4-ampy)21,5-dca)2]n (2) were synthesized and characterized using single crystal XRD. Complex 1 has a dimer structure with a triclinic crystal system and space group P 1¯, whereas complex 2 has a polymer structure with a monoclinic crystal system and space group P21/c. Hirshfeld surface analysis of complex 1 showed the presence of S⋯N–H and N–H–S interactions between dimer molecules and intramolecular hydrogen bonds N–H⋯N. In complex 2, the analysis showed the polymer coordination chain bonds between Cd(II) ions with N atoms from dicyanamide and intermolecular hydrogen bonds of N–H⋯N. In vitro antibacterial testing for both complexes against Escherichia coli (gram-negative) and Staphylococus aureus (gram-positive) showed a higher inhibition zone diameter than the constituent reactants, where complex 2 had the a higher antibacterial activity.

Abstract Image

Cd(2-ampy)3(NCS)(μ1,5-SCN)]2和[Cd(4-ampy)2(μ1,5-dca)2]n配合物(2-ampy = 2-氨基吡啶,4-ampy = 4-氨基吡啶,NCS = 硫氰酸盐,dca = 双氰胺)的合成、结构、Hirshfeld 表面分析和抗菌活性
合成了[Cd(2-ampy)3(NCS)(μ-SCN)]2(1)和[Cd(4-ampy)2(μ1,5-dca)2]n(2)复合物,并利用单晶 XRD 对其进行了表征。复合物 1 具有三斜晶系和空间群 P 1¯ 的二聚体结构,而复合物 2 则具有单斜晶系和空间群 P21/c 的聚合物结构。对复合物 1 的 Hirshfeld 表面分析表明,二聚体分子之间存在 S⋯N-H 和 N-H-S 相互作用以及分子内氢键 N-H⋯N。在复合物 2 中,分析表明镉(II)离子与来自双氰胺的 N 原子之间存在聚合物配位链键以及 N-H⋯N 的分子间氢键。这两种复合物对大肠杆菌(革兰氏阴性)和金黄色葡萄球菌(革兰氏阳性)的体外抗菌测试表明,其抑菌区直径高于组成反应物,其中复合物 2 具有更高的抗菌活性。
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