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Crystal structure of 2-aminobenzothiazolinium nitrate and theoretical study of the amino-imino tautomerism of 2-aminobenzothiazole
Yan, Xingchen1,2; Wu, Xiaojing1; Xu, Jiakun1,3; Fan, Yuhua1; Bi, Caifeng1; Zhang, Xia1; Zhang, Zhongyu1
2014-06-01
Source PublicationHETEROCYCLIC COMMUNICATIONS
Volume20Issue:3Pages:167-174
Abstract2-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.
SubtypeArticle
Keyword2-aminobenzothiazole 2-aminobenzothiazolinium Nitrate Crystal Structure Tautomerism Theoretical Calculation
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1515/hc-2014-0018
WOS KeywordGAS-PHASE ; THIAZOLE ; DERIVATIVES ; 2-AMINO-2-THIAZOLINE ; 2-AMINOPYRIDINE ; COMPLEXES ; CYTOSINE ; ADENINE
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Organic
WOS IDWOS:000337175400005
Citation statistics
Document Type期刊论文
Identifierhttp://ir.qibebt.ac.cn/handle/337004/6289
Collection仿生能源与储能系统团队
Affiliation1.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
Recommended Citation
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.
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