Structural study and thermal behavior of novel interaction product of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thione with molecular iodine

Abstract

As a part of investigation of thyreostatic activity of mercapto-substituted triazoles, the structure, spectroscopic properties of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thione were obtained. 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thione forms steady charge-transfer complex in dilute chloroform solution, coordinating one iodine molecule (lgβ = 3.47). The reaction product of 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thione is presented by uncharged adduct: C₆H₆N₄OS·I₂. The crystal structure of the adduct was studied in detail by single crystal X-ray diffraction. The results of thermogravimetric analysis revealed the stability of adduct in a solid state at the temperature range 50–500 °C.

Graphical Abstract

Keywords:

• Iodine molecular adduct
• X-ray diffraction
• HRMS
• Raman
• TGA/DSC study

Acknowledgements

The NMR spectra data were recorded at the Scientific and Educational Laboratory of Resonance Spectroscopy, Department of Natural and High Molecular Compounds. The thermal analysis was studied at the Center for Collective Use by «Center for Mineral Resources and State Studies of the Southern Federal University».