Synthesis, Properties, and Structure of 1,3-dimethyl-2(3H)-imidazolethione Hydrogen Bromide

Authors

Daniel J. Williams, Kennesaw State UniversityFollow
Guillermo Ramirez, Kennesaw State University
Donald VanDerveer, Georgia Institute of Technology - Main CampusFollow

Department

Chemistry and Biochemistry

Document Type

Article

Publication Date

1986

Abstract

The compound dmit·HBr (dmit=1,3-dimethyl-2(3H)-imidazolethione) has been synthesized and characterized. The crystal and molecular structure of dmit·HBr has also been determined. The compound, C₅H₉BrN₂S, crystallizes in space groupP2₁/c with four formula units in a cell of dimensionsa= 7.331(1),b=7.744(2),c=14.626(4) Å, and=99.56(2)°. The calculated and observed densities are 1.678 and 1.68(2) g cm^–3, respectively. X-ray results along with physical characterization show this compound to be a molecular adduct of dmit and hydrogen bromide which is sensitive to air, light, and moisture. Specific conductivity (10^–3 M in PhNO₂), infrared, and¹H-NMR data have also been obtained. X-ray results reveal intermolecular contracts between S and Br to be primarily van der Waals in nature. Molecular units are linked through long zigzag Br-S-Br-S chains.