X-ray powder diffraction analysis of a nonlinear optical material 4-chlorocinnamylidenyl-4′ -phenylacetophenone

Abstract

A nonlinear optical material, 4-chlorocinnamylidenyl-4′ -phenylacetophenone (C23H17ClO), 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 94 observed reflections with 2θ up to 60° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 30 nonoverlapping peaks of the orthorhombic compound with a P21212 space group are a =14.756(3) Å, b = 20.647(8) Å, c = 5.840(1) Å, V = 1779.3(9) Å3, Z = 4, and Dx = 1.287 g/cm3.