Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole

doi:10.1515/hc-2014-0018

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	Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole
	Yan, Xingchen 1,2; Wu, Xiaojing 1; Xu, Jiakun 1,3; Fan, Yuhua 1; Bi, Caifeng 1; Zhang, Xia 1; Zhang, Zhongyu 1
	2014-06-01
发表期刊	HETEROCYCLIC COMMUNICATIONS
卷号	20 期号:3 页码:167-174
摘要	2-Aminobenzothiazolinium nitrate (1) was characterized by elemental analysis, melting point, IR, H-1 NMR, and X-ray crystallography. The driving force for the 2-aminobenzothiazole tautomerism in methanol solution was studied using theoretical calculations. It is suggested that the 2-aminobenzothiazolinium cation is an intermediate product between the amino form (2) and imino form (3) of 2-aminobenzothiazole. The tautomerization reaction can proceed in two steps through protonation and deprotonation between the two forms 2 and 3.
文章类型	Article
关键词	2-aminobenzothiazole 2-aminobenzothiazolinium Nitrate Crystal Structure Tautomerism Theoretical Calculation
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1515/hc-2014-0018
关键词[WOS]	GAS-PHASE ; THIAZOLE ; DERIVATIVES ; 2-AMINO-2-THIAZOLINE ; 2-AMINOPYRIDINE ; COMPLEXES ; CYTOSINE ; ADENINE
收录类别	SCI
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Organic
WOS记录号	WOS:000337175400005
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/6289
专题	仿生与固态能源系统研究组
作者单位	1.Ocean Univ China, Coll Chem & Chem Engn, Minist Educ, Key Lab Marine Chem Theory & Technol, Qingdao 266100, Shandong, Peoples R China 2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Peoples R China 3.Chinese Acad Fishery Sci, Yellow Sea Fisheries Res Inst, Minist Agr, Key Lab Sustainable Dev Marine Fisheries, Qingdao 266071, Peoples R China
推荐引用方式 GB/T 7714	Yan, Xingchen,Wu, Xiaojing,Xu, Jiakun,et al. Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole[J]. HETEROCYCLIC COMMUNICATIONS,2014,20(3):167-174.
APA	Yan, Xingchen.,Wu, Xiaojing.,Xu, Jiakun.,Fan, Yuhua.,Bi, Caifeng.,...&Zhang, Zhongyu.(2014).Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole.HETEROCYCLIC COMMUNICATIONS,20(3),167-174.
MLA	Yan, Xingchen,et al."Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole".HETEROCYCLIC COMMUNICATIONS 20.3(2014):167-174.