Synthesis, growth, XRD, NLO, CHNSO, structure by theoretical approach, dielectric, absorbance, photoconductivity and bio studies of 4-(4-Acetyl-5-Methyl-1H-1, 2, 3-Triazol-1-yl) Benzonitrile crystals for optical, opto-electronic, and photonics utilities

Abstract

4-(4-Acetyl-5-Methyl-1H-1, 2, 3-Triazol-1-yl) Benzonitrile—AMHTYB crystal is effectively synthesized and grown successfully by slow-evaporation technique. The grown sample is monoclinic in nature which is identified by single-crystal XRD data analysis and its chemical formula is identified to be C12H10N4O. From the NLO study, the titled crystal is found to be 1.24 times than that of the crystal of KDP for NLO-SHG efficiency and is good for the optical applications. The AMHTYB crystal is subjected to dielectric and photoconductivity study, the synthesized crystal is a -ve photoconductive type of material and is of good material for electronic industry based on its effect on dielectrics. The absorbance cut-off is identified by UV–visible spectrum as 291 nm and the energy gap as 4.27 eV by Tauc’s plot for photonic effectiveness; the elemental calculations by CHNSO and by theoretical manner and the structural revelation by computational approach are also reported for the entitled AMHTYB crystalline specimen; the IC50 values portray the anti-diabetic utility of NLO crystals of versatile scalings.