Syntheses, structural and thermal studies on Zn(II) complexes of 5-aryl-1,3,4-oxadiazole-2-thione and dithiocarbamates: Antibacterial activity and DFT calculations

A Novel ZnII Complex Bearing Two Monodentate (4-Methoxyphenyl)[(1E, 2E)-3-phenylprop-2-en-1-ilidene] Schiff Bases: Crystal Structure and DFT Study

“…e reported values in the literature for the angles and distances also presented a good agreement with the obtained data for the compound described in this work. In the case of the [ZnCl 2 (BS-4-OCH 3 ) 2 ] complex, the theoretical values for Zn-N and N-Zn-N were 2.1193Å and 97.67°, respectively, and values for the same angles and bonding lengths were obtained in the ranges of 1.94 to 2.18Å and 82.7°to 135.9°, showing again that the method used in the present work performed well, considering that the calculations reported in the literature are obtained by simulating conditions closer to the experimental one [22][23][24].…”

5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

“…The coordination chemistry of nitrogen-oxygen containing heterocyclic ligands such as 1,3,4-oxadiazoles and their derivatives containing the HNCO moiety is an emerging and rapidly developing area of research (Wang et al, 2007;Foroumadi et al, 2001;Bharty et al, 2012). 1,3,4-Oxadiazole derivatives have also been the subject of extensive study in the recent years because of their diverse biological activities (Luo et al, 2016;Aboraia et al, 2006;El-Emam et al, 2004;Bharty et al, 2015). These molecules can act as spacers in coordination compounds, resulting in intermolecular cooperative interactions (Du & Zhao, 2004).…”

Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4‐amino‐5‐(heptadec‐8‐en‐1‐yl)‐4H‐1,2,4‐triazole‐3‐thiol and its metal chelates

“…The chemical and biological activities of triazole ligands are of great interest for the preparation of metal complexes . Furthermore, metal complexes containing triazole ligands also show biological activities . The work presented here aimed chiefly to study a novel triazole ligand, namely 4‐amino‐5‐(heptadec‐8‐en‐1‐yl)‐4 H ‐1,2,4‐triazole‐3‐thiol (H 2 L), and its interesting coordination reaction with some metal cations, namely Co (II), Fe (III), Ni (II), Cu (II) and Cd (II).…”