Single Crystal Structure and Characterization of 2-Amino-4-methylpyridinium-4-nitrophenolate-4-nitrophenol

Abstract

This report presents the synthesis, growth, crystal structure determination and characterization of 2-amino-4-methylpyridinium-4-nitrophenolate-4-nitrophenol (2A4MPPP). The crystal structure of the title compound, C₁₈H₁₈N₄O, was determined by X-ray diffraction at 293 K. It was in orthorhombic crystal system with a space group Pna2₁ (Z = 4) and lattice parameters: a = 13.0726(6) Å, b = 11.8157(4) Å and c = 12.0281(5) Å, V = 1857.88(13) ų. FT-IR, FT-Raman, UV-DRS spectra were employed to characterize the crystal. Thermal stability of the crystal was explored by TG-DSC analysis. The thermal analysis revealed that the melting point of the as grown crystal is 98.8 ºC. Vicker’s microhardness test was performed to analyze the mechanical strength of the as grown crystal. The second harmonic generation efficiency of the 2-amino-4-methylpyridinium-4-nitrophenolate-4-nitrophenol measured using Kurtz and Perry powder technique was high and is about 1.9 times that of well known standard potassium dihydrogen phosphate for particle size less than 180 μ. The results reveal that 2-amino-4-methylpyridinium-4-nitrophenolate-4-nitrophenol is a phase matchable non-linear optical material.