Bin Wang, Heng-Shan Dong
Feb 1, 2009
Citations
0
Influential Citations
2
Citations
Journal
Journal of Chemical Crystallography
Abstract
The 5-(4-bromophenylamino)-2-methylsulfanylmethyl-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 P21/n with unit cell parameters a = 5.5220(1), b = 26.996(5), c = 10.596(2) Å, β = 103.83(3). V = 1533.8(5) Å3, Z = 4, Dx = 1.608 mg m−3. The final R1 was 0.0844; wR2 was 0.1560. H-bond is discussed.Index AbstractThe structure of 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester from 5-amino-1-(4-bromophenyl)-1,2,3-triazol-4-carboxylic acid ethyl ester is studied. H-bond is discussed.