3-烷基-4-氨基-1,2,4-三唑-5-硫酮席夫碱的合成和晶体结构表征

Synthesis and Crystal Structure of 3-Alkyl-4-amino-1,2,4-triazol-5-thione Schiff Bases

在酸性条件下,通过缩合反应制备了一系列3-烷基-4-氨基-1,2,4-三唑-5-硫酮席夫碱,用EAI、R1、H NMR和13C NMR确定了结构。通过对化合物IIa X-ray单晶衍射分析表明:在化合物Ⅱ、Ⅲ中的亚胺(—C N—)构型是E构型(反式),其结构是硫酮式互变而非硫醇式。

A series of new Schiff bases of 3-alkyl-4-amino-1,2,4-triazol-5-thione were prepared by condensation reaction in the presence of concentrated hydrochloric acid. The structures of obtained compounds were characterized by EA, IR, ^1H NMR and ^13C NMR. The X-ray crystallographic analysis of compound IIa indicated that the configuration of the C = N double bond in compounds Ⅱ and Ⅲ was E and its structure was thione tautomer rather than thiol tautomer.