X-ray powder diffraction analysis of a nonlinear optical material N-(p-methoxy benzoyl)-N'-(o-methyl phenyl) thiourea

摘要

A nonlinear optical material, N-(p-methoxy benzoyl)-N'(o-methyl phenyl) thiourea (C_(16)H_(16)N_2O_2S), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 90 observed reflections with 2θ up to 88° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The least-squares refined unit cell parameters are a=26.7079(3) A, b=6.7995(9) A, c= 19.2845(1) A, β=121.39(4), V=2989.42(3) A~3, Z=8, D_x = 1.334(8) g/cm~3, space group P2(3).