The Synthesis and Crystal Structure of 5-(4-Bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic Acid Ethyl Ester

被引：4
|
作者：
Wang, Bin [1 ,2 ]
Dong, Heng-Shan [1 ]
机构：
[1] Lanzhou Univ, Inst Organ Chem, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Gansu, Peoples R China
[2] Gansu Assoc Univ, Coll Sci & Engn, Lanzhou 730000, Gansu, Peoples R China
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2009年 / 39卷 / 02期
关键词：
Crystal structure; DMSO; Synthesis; 2H-1,2,3-triazole; H-bond; Dimroth rearrangements; 2-Methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester;
D O I：
10.1007/s10870-008-9425-8
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The 5-(4-bromophenylamino)-2-methylsulfanyl-methyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester 6 was synthesized from p-bromoaniline. The yielded product 6 was investigated with X-ray crystallographic, NMR, MS, and IR techniques. Compound 6, C13H15BrN4O2S, Mr = 371.26, crystallizes in the monoclinic space group P2(1)/n with unit cell parameters a = 5.5220(1), b = 26.996(5), c = 10.596(2) angstrom, beta = 103.83(3). V = 1533.8(5) angstrom(3), Z = 4, Dx = 1.608 mg m(-3). The final R-1 was 0.0844; wR(2) was 0.1560. H-bond is discussed.
引用
收藏
页码：95 / 98
页数：4
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