X-ray powder diffraction analysis of a nonlinear optical material 3-nitro–4-hydroxy–4′-bromobenzophenone

Abstract

A nonlinear optical material 3-nitro–4-hydroxy–4′-bromobenzophenone 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 109 observed reflection with 2θ up to 90° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 34 nonoverlapping peaks of the orthorhombic compound with a P212121 space group are a = 7.619(7) Å, b = 27.651(5) Å, c = 5.650(7) Å, V = 1190.5(9) Å3, Z = 4, and Dx = 1.389 g/cm3.