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

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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 R 1 was 0.0844; wR 2 was 0.1560. H-bond is discussed.

Index Abstract

The 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.

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Acknowledgments

The authors wish to acknowledge this project is supported by Lanzhou University SKLAOC.

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Authors and Affiliations

  1. State Key Laboratory of Applied Organic Chemistry, Institute of Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, Gansu, 730000, People’s Republic of China

    Bin Wang & Heng-Shan Dong

  2. College of Science and Engineering, Gansu Association University, Lanzhou, Gansu, 730000, China

    Bin Wang

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  1. Bin Wang
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  2. Heng-Shan Dong
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Correspondence to Heng-Shan Dong.

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Wang, B., Dong, HS. The Synthesis and Crystal Structure of 5-(4-Bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic Acid Ethyl Ester. J Chem Crystallogr 39, 95–98 (2009). https://doi.org/10.1007/s10870-008-9425-8

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  • DOI: https://doi.org/10.1007/s10870-008-9425-8

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