Synthesis, crystal structure and antibacterial activity of diaqua sulfato 2,4,6-tris(2-pyridyl)-s-triazine Zn(II) dihydrate

IF 4.7 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-06-15 Epub Date: 2025-02-10 DOI:10.1016/j.molstruc.2025.141723
Hanar Q. Hassan , Karzan A. Abdalkarim , Diary I. Tofiq , Basem F. Ali , Zaher Judeh , Mohanad H. Masad , Rebaz F. Hamarawf , Faraidoon K. Kadir
{"title":"Synthesis, crystal structure and antibacterial activity of diaqua sulfato 2,4,6-tris(2-pyridyl)-s-triazine Zn(II) dihydrate","authors":"Hanar Q. Hassan ,&nbsp;Karzan A. Abdalkarim ,&nbsp;Diary I. Tofiq ,&nbsp;Basem F. Ali ,&nbsp;Zaher Judeh ,&nbsp;Mohanad H. Masad ,&nbsp;Rebaz F. Hamarawf ,&nbsp;Faraidoon K. Kadir","doi":"10.1016/j.molstruc.2025.141723","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, zinc (II) complex [Zn(2,4,6-tris(2-pyridyl)-s-triazine)(OSO<sub>3</sub>)(OH<sub>2</sub>)<sub>2</sub>]·2H<sub>2</sub>O was synthesized using 2,4,6-tris(2-pyridyl)-s-triazine (TPTz) and ammonium pyrrolidine dithiocarbamate (NH<sub>4</sub>PyDTC) as ligands. Surprisingly, the NH<sub>4</sub>PyDTC ligand underwent dissociation and hydrolysis, resulting in the formation of sulfate ions. The synthesized Zn-complex was successfully characterized utilizing physical properties, magnetic susceptibility measurement, single-crystal X-ray diffraction, elemental analysis, <sup>1</sup>H-NMR, UV-Vis, and FT-IR spectroscopies. The X-ray analysis and several characterization techniques revealed that the Zn(II) complex was hexa-coordinated, associated with the tridentate TPTz ligand, two water molecules, and a mono-dentate sulfate ion. To assess the antibacterial effectiveness of the complex, it was tested on Gram-positive <em>Staphylococcus aureus</em> and Gram-negative <em>Escherichia coli.</em> The test result confirmed a significant antibacterial effect by inhibiting the growth of the bacteria more than the parent ligand. This research highlights the potential antibacterial effect of the sulfate-metal complex as a novel antibiotic development against both Gram-negative and Gram-positive bacteria.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1332 ","pages":"Article 141723"},"PeriodicalIF":4.7000,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025004090","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/10 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

In this study, zinc (II) complex [Zn(2,4,6-tris(2-pyridyl)-s-triazine)(OSO3)(OH2)2]·2H2O was synthesized using 2,4,6-tris(2-pyridyl)-s-triazine (TPTz) and ammonium pyrrolidine dithiocarbamate (NH4PyDTC) as ligands. Surprisingly, the NH4PyDTC ligand underwent dissociation and hydrolysis, resulting in the formation of sulfate ions. The synthesized Zn-complex was successfully characterized utilizing physical properties, magnetic susceptibility measurement, single-crystal X-ray diffraction, elemental analysis, 1H-NMR, UV-Vis, and FT-IR spectroscopies. The X-ray analysis and several characterization techniques revealed that the Zn(II) complex was hexa-coordinated, associated with the tridentate TPTz ligand, two water molecules, and a mono-dentate sulfate ion. To assess the antibacterial effectiveness of the complex, it was tested on Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli. The test result confirmed a significant antibacterial effect by inhibiting the growth of the bacteria more than the parent ligand. This research highlights the potential antibacterial effect of the sulfate-metal complex as a novel antibiotic development against both Gram-negative and Gram-positive bacteria.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
二水磺胺2,4,6-三(2-吡啶基)-s-三嗪锌(II)二水合物的合成、晶体结构及抗菌活性
本研究以2,4,6-三(2-吡啶基)-s-三嗪(TPTz)和吡咯烷二硫代氨基甲酸铵(NH4PyDTC)为配体合成了锌(II)配合物[Zn(2,4,6-三(2-吡啶基)-s-三嗪)(OSO3)(OH2)2]·2H2O。令人惊讶的是,NH4PyDTC配体经历了解离和水解,导致硫酸盐离子的形成。利用物性、磁化率、单晶x射线衍射、元素分析、1H-NMR、UV-Vis和FT-IR光谱对合成的锌配合物进行了表征。x射线分析和几种表征技术表明,锌(II)配合物是六配位的,与三齿TPTz配体、两个水分子和一个单齿硫酸盐离子相结合。为了评估该复合物的抗菌效果,对革兰氏阳性金黄色葡萄球菌和革兰氏阴性大肠杆菌进行了试验。实验结果证实其抑菌效果显著,抑菌效果优于亲本配体。这项研究强调了硫酸盐-金属配合物作为一种新型抗生素对革兰氏阴性和革兰氏阳性细菌的潜在抗菌作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
期刊最新文献
Synthesis, crystallographic, and computational investigations of a pyrazole-phenylcarbamothioyl derivative: Structural and molecular docking studies The impact of the linkage position on photovoltage performance of carbazole-based double-branched D–π–A sensitizers: Synthesis and DFT evaluation X-ray photoelectron spectroscopy of 1-octyl-3-vinylimidazolium ionic liquids: The impact of π-electrons delocalisation on the electronic environment of the cation and the anion Design and synthesis of ethyl 2-(6-nitro-1H-benzo[d]imidazol-1-yl)acetate (ENBIA): XRD, Hirshfeld surface, computational, molecular docking and ADME-T studies Discovery of cytotoxic naphthoquinones from Markhamia stipulata roots guided by bioassay evaluation coupled with UHPLC-HRMS/MS-based molecular networking analysis
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1