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

CORC > 青岛生物能源与过程研究所 > 中国科学院青岛生物能源与过程研究所 > 仿生能源与储能系统团队

	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
刊名	HETEROCYCLIC COMMUNICATIONS
	2014-06-01
卷号	20 期号:3 页码:167-174
关键词	2-aminobenzothiazole 2-aminobenzothiazolinium nitrate crystal structure tautomerism theoretical calculation
英文摘要	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.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Organic
研究领域[WOS]	Chemistry
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记录号	WOS:000337175400005
公开日期	2015-12-24
内容类型	期刊论文
源URL	[http://ir.qibebt.ac.cn/handle/337004/6289]
专题	青岛生物能源与过程研究所_仿生能源与储能系统团队
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.