Crystal growth and characterization of glycine chlorzoxazone nonlinear optical crystal for energy storage capacitor applications S.R. Shankara, Vinayakprasanna N Hegde, V.V. Manju, K.M. Eshwarappa, K.B. Deeksha, B.C. Hemaraju Chemical Physics Impact, 2024 This research presents the synthesis of a glycine chlorzoxazone (GC) organic single crystal through a slow evaporation process using a mixed solvent of water and ethanol at room temperature. The crystal's functional group coordination is examined via fourier-transform infrared (FTIR) spectroscopy. The study delves into the linear optical properties through UV-visible spectroscopy, and thermal analyses provide insights into the material's thermal behavior. Optical nonlinearity is confirmed using the Kurtz-Perry powder technique. The investigation extends to the electrical properties of prepared crystals, incorporating a combination of AC and DC electrical studies. This comprehensive approach enhances our understanding of the multifaceted characteristics of synthesized crystal, positioning it as a promising candidate for different electronic and optical applications.
Structural, Hirshfeld surface and three-dimensional interaction energy studies of 2-(6-iodo-4-oxo-3,4-dihydroquinazolin-3-yl)ethanesulfonyl fluoride D. P. Ganesha, N. R. Sreenatha, S. R. Shankara, B. N. Lakshminarayana Acta Crystallographica Section E Crystallographic Communications, 2023 In the crystal, molecules of the title compound, C10H8FIN2O3S, are connected through C—H...N and C—H...O hydrogen bonds, I...O halogen bonds, π–π stacking interactions between the benzene and pyrimidine rings, and edge-to-edge electrostatic interactions, as shown by the analysis of the Hirshfeld surface and two-dimensional fingerprint plots, as well as intermolecular interaction energies calculated using the electron-density model at the HF/3–21 G level of theory.
