Growth, characterization and crystal structure analysis of 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one

Good-quality single crystals of organic non-linear optical material 1-(4-chlorophenyl)-3-(4-chloro phenyl)-2-propen-1-one were grown by slow evaporation technique. The crystal structure analysis and the molecular arrangement of these crystals are determined using X-ray diffraction (XRD) method. From single-crystal XRD studies, it is found that the compound crystallizes in the monoclinic system with a space group P21/a, and the corresponding lattice parameters were calculated. FT-IR spectra were recorded to identify the various functional groups present in the compound. The biggest grown crystal has the dimension, 18×8×2 mm3 and was characterized using UV visible spectra. The refractive index of the crystal was measured using Brewster's angle method and the second-harmonic generation (SHG) efficiency of 0.7 times that of urea.