X-RAY-POWDER DIFFRACTION ANALYSIS OF A NONLINEAR-OPTICAL MATERIAL 1-BENZOYL-3-(4-BENZYL)THIOUREA [N-BENZOYL-N'-(4-BENZYL)THIOUREA]

A nonlinear optical material, 1-benzoyl-3-(4-benzyl)thiourea (C15H14N2 OS), has been characterized by X-ray powder diffraction. Experimental values of 2 theta corrected for systematic errors, relative peak inten sities, values of d, and the Miller indices of 82 observed reflections with 2 theta up to 80 degrees are reported. The powder diffraction da ta have been evaluated, and the figures-of-merit are reported. The lea st-squares refined unit cell parameters are a=22.0243(6)Angstrom, b=10 .9795(7)Angstrom, c=13.0322(8)Angstrom, beta=116.88(2)degrees, V=2810. 8(9)Angstrom(3), Z=8, Dx=1.278 g/cm(3), space group Pn. (C) 1998 Inter national Centre for Diffraction Data.