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取代苯并咪唑基噁二唑硫醚的合成及晶体结构

Synthesis and Crystal Structure of Subsituted Benzimidazole 1,3,4-Oxadiazole Thioethers
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摘要 以2-氯甲基-6-硝基苯并咪唑和2,2'-联吡啶-3,3'-二(5-[1,3,4-噁二唑-2-硫酮])为原料在碱性水溶液中进行反应制备2-亚甲基-6-硝基苯并咪唑取代基2,2'-联吡啶-3,3'-二(5-[1,3,4-噁二唑-2-硫醚])新化合物,其结构通过1H NMR、13C NMR、IR、MS、元素分析及单晶X-射线衍射等技术进行表征,其盐酸盐晶体测试结果表明:晶体中存在两个手性异构体分子,整个分子外观呈现字母"S"形状,相邻分子之间通过π——π堆积和S——π作用形成一维超分子链。CCDC:1826003。 A novel compound of 6-nitro-2-((5-(2-(3-(5-((6-nitro-1H-benzo[d]i midazol-2-yl)methylthio)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)pyridin-3-yl)-1,3,4-oxadiazol-2-ylthio)methyl)-1H-benzo[d]imidazole was synthesized from 2,2′-Bipyridine-3,3′-di(5-1,3,4-oxadiazole-2(3H)-thione with 2-(chloromethyl)-6-nitro-1H-benzo[d]imidazole in solution of potassium hydroxide.It was characterized by 1 H NMR,13 C NMR,IR,MS,elemental analysis and single crystal X-ray diffraction.The compound hydrochloride crystal test experiment results showed that two stereisomers were existed in the crystal,and their stereochemical structures were similar to the letter S,and the neighbouring molecule units assembled throughπ---πstacking and S---πinteraction to form 1D supromolecular Chain.CCDC:1826003.
作者 易君明 陈明华 陈美艳 吉娅 李真艳 YI Jun-ming;CHEN Ming-hua;CHEN Mei-yan;JI Ya;LI Zhen-yan(College of Biology and Chemistry,Key Laboratory of Chemical Synthesis and Environmental Pollution Control-remediation Technology,Xingyi Normal University for Nationalities,Guizhou Xingyi 562409,China)
出处 《广州化工》 CAS 2018年第13期16-19,共4页 GuangZhou Chemical Industry
基金 贵州省教育厅资助项目(2016年教改项目163号) 贵州省科技厅资助项目(黔科合LH字[2016]7038)
关键词 2-氯甲基-6-硝基苯并咪唑 2 2′-联吡啶-3 3′-二(5-[1 3 4-噁二唑-2-硫酮]) 1 3 4-噁二唑-2-硫醚 晶体结构 超分子 2-(chloromethyl)-6-nitro-1H-benzo[d]imidazole 2,2′-Bipyridine-3,3′-di(5-1,3,4-oxadiazole-2(3H)-thione 1,3,4-oxadiazole-2(3H)-thioether crystal structure supramolecular structur
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