Synthesis, photophysical, electrochemical and single-crystal x-ray diffraction study of (Z)-2-phenyl-3-(5-(4-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-7-yl)thiophen-2-yl)acrylonitrile

ABSTRACT

The optical characteristics, redox properties, thermogravimetric stability and single-crystal X-ray diffraction study of (Z)-2-phenyl-3-(5-(4-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-7-yl)thiophen-2-yl)acrylonitrile are examined using ultraviolet–visible spectrophotometry, cyclic voltammetry, thermal gravimetric analysis–diffraction scanning calorimetry analysis, single-crystal X-ray diffraction and density functional theory calculations. Evidently, the crystal structure of compound 6 is sustained by a number of weak nonconventional intermolecular forces of attraction such as C-H … N, C-H … π donor–acceptor interactions.

GRAPHICAL ABSTRACT

KEYWORDS:

• Benzothiadiazole
• photophysical properties
• single-crystal x-ray diffraction

Acknowledgments

The authors acknowledge S. S. Zade, Associate Professor, IISER-Kolkata, Kolkata for DFT calculations and B. M. Trivedi, Professor, The Maharaja Sayajirao University of Baroda, Vadodara for cyclovoltammetry analysis.