Journal of molecular structure

N–H⋯ S hydrogen bonding in 2-mercapto-5-methyl-1, 3, 4-thiadiazole. Synthesis and crystal structures of mercapto functionalised 1, 3, 4-thiadiazoles

F Hipler, M Winter, RA Fischer

Index: Hipler, Frank; Winter, Manuela; Fischer, Roland A. Journal of Molecular Structure, 2003 , vol. 658, # 3 p. 179 - 191

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Citation Number: 29

Abstract

The synthesis and crystal structures of three mercapto functionalised 1, 3, 4-thiadiazoles and the crystal structure of 2-mercapto-5-methyl-1, 3, 4-thiadiazole are described. In the solid state, 2-mercapto-5-methyl-1, 3, 4-thiadiazole 1 forms a thioamide tautomer as shown by FTIR and Raman spectroscopy as well as X-ray crystallography and as theoretically predicted. The molecules are connected to form chains via N–H⋯ S hydrogen bonds with ...