A. Boshaala, K. AlFarhan, H. M. Sheppaek, W. O. Algezzeri, A. Zarrouk, I. Warad
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引用次数: 3
摘要
s -苄基二硫代氨基甲酸酯与4-氯苯乙酮反应产生双齿状NS席夫碱(s -b) s -苄基-β- n -(1-(4-氯苯基)乙基)二硫代氨基甲酸酯，这种硫酮互变异构体非常有趣，通常这种席夫碱通过偶亚甲基中的中性氮和硫醇的离子硫螯合到金属中心。通过FT-IR、FAB-MS、UV-vis、PXRD和xrd晶体对配体结构进行了表征。本工作的主要目的是将xrd相互作用与Hirshfeld表面分析(HSA)计算结果进行比较。HSA和XRD均反映了NH…S=C和CH....S=C的存在。氢键是配体晶格中的主要相互作用力。
Crystal interaction, XRD powder, and Hirshfeld surface analysis of S-benzyl-β-N-(1-(4-chlorophenyl) ethylidene) dithiocarbazate Schiff base
The reaction of S-benzyldithiocarbazate with 4-chloroacetophenone afforded bidentate NS Schiff base (S.B) S-benzyl-β-N-(1-(4-chlorophenyl)ethylidene) dithiocarbazate, the thione tautomeric is very interesting, usually such Schiff base chelated to the metal center through neutral nitrogen at in the azomethine and the ionic sulfur of the thiol. The ligand structure has been confirmed by FT-IR, FAB-MS, UV-vis, PXRD and XRD-crystal. The main target of this work is to compare the XRD-interactions with the computed result of Hirshfeld surface analysis (HSA). Both HSA and XRD reflected the presence of the NH…S=C and CH….S=C. H-bonds as main interactions forces in crystal lattice of the desired ligand.
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