X-ray powder diffraction analysis of a nonlinear optical material 1-benzoyl-3(4-benzyl) thiourea [N-benzoyl-N'-(4-benzyl) thiourea]

摘要

A nonlinear optical material, 1- benzoyl-3-(4-benzyl) thiourea (C_15H_14N_2OS), 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 82 observed reflections with 2θ up to 80° 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=22.0243(6) A, b=10.9795(7)A, c=13.0322(8)A, β=116.88(2)°, V=2810.8(9)A~3, z=8, D_χ=1.278 g/cm~3, space group Pn.