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Acyl thiourea derivatives: A study of crystallographic, bonding, biological and spectral properties
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-11-10 , DOI: 10.1016/j.cplett.2018.11.020
E. Contreras Aguilar , G.A. Echeverría , O.E. Piro , S.E. Ulic , J.L. Jios , M.E. Tuttolomondo , R.D.I. Molina , M.E. Arena

The study of two new acylthiourea derivatives (Ar-CO-NH-CS-NH-R) are focused on the bonding interactions supported by X-ray, NMR, UV-Vis, Raman and IR spectroscopy, and NBO, AIM and Hirshfeld surface analysis. The RAHB model is proposed to explain some structural properties. The molecules are stabilized by intra-molecular NH···O bonds arranged in the lattice as centre-symmetric dimers held by inter-molecular NH···S bonds. The dimers are linked to each other through NH···O bonds giving rise to a chain, ribbon-like structure in the network. In vitro bacterial growth inhibition, biofilm formation, biosensor and biofilm metabolic activity were tested considering the broad bioactivity of acylthioureas.



中文翻译:

酰基硫脲衍生物:晶体学,键合,生物学和光谱性质的研究

两种新的酰基硫脲衍生物(Ar-CO-NH-CS-NH-R)的研究重点在于X射线,NMR,UV-Vis,拉曼和IR光谱以及NBO,AIM和Hirshfeld表面所支持的键合相互作用分析。提出了RAHB模型来解释一些结构特性。分子通过排列在晶格中的分子内NH···O键稳定为分子间NH···S键所保持的中心对称二聚体。二聚体通过NH···O键相互连接,从而在网络中形成链状,带状结构。考虑到酰基硫脲的广泛生物活性,对体外细菌生长抑制,生物膜形成,生物传感器和生物膜代谢活性进行了测试。

更新日期:2018-11-10
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