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X-ray powder diffraction analysis of an organic material for nonlinear optics 3-methyl-4-methoxy-4-nitrostilbene

Published online by Cambridge University Press:  10 January 2013

Zong-ming Jin
Affiliation:
Central Laboratory, Suzhou University, 1 Shizi Street, Suzhou, 215006, People's Republic of China
Zheng Jin
Affiliation:
Suzhou Testing Institute of Technology, 5 Minzhi Road, Suzhou, 215006, People's Republic of China
Fang Huang
Affiliation:
Department of Chemistry, Suzhou University, 1 Shizi Street, Suzhou, 215006, People's Republic of China

Abstract

An organic nonlinear optical material, 3-methyl-4-methoxy-4-nitrostilbene (C16H15NO3), 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 77 observed reflections with 2θ up to 82° 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 non-overlapping peaks of the orthorhombic compound with a Aba2 space group are a=15.7882(3) Å, b=13.4892(4) Å, c=13.3940(2) Å, V=2852.5(4) Å3, Z=8, Dx=1.254 g/cm3. The powder diffraction results are in a agreement with those obtained from single-crystal structure data.

Type
Research Article
Copyright
Copyright © Cambridge University Press 1997

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