Hostname: page-component-78c5997874-dh8gc Total loading time: 0 Render date: 2024-11-19T10:32:20.947Z Has data issue: false hasContentIssue false

X-ray powder diffraction analysis of a nonlinear optical material N-(p-methoxy benzoyl)-N-(p-methyl phenyl) thiourea

Published online by Cambridge University Press:  05 March 2012

Weiqun Zhou
Affiliation:
Chemistry Department, Suzhou University, 1 Shizi Street, Suzhou, 215006, People’s Republic of China
Chao Xie
Affiliation:
EENT Hospital, 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
Zong-ming Jin*
Affiliation:
Central Laboratory, Suzhou University, 1 Shizi Street, Suzhou, 215006, People’s Republic of China
*
a)Electronic mail: zzj225@cmmail.com

Abstract

A nonlinear optical material, N-(p-methoxy benzoyl)-N-(p-methyl phenyl) thiourea (C16H16N2O2S), 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 66° are reported. The powder diffraction data and the figure-of-merit are reported. The least-squares refined unit cell parameters are a=25.3291(3) Å, b=11.9478(1) Å, c=10.1407(4) Å, β=103.10(2)°, V=2988.97(6) Å3, Z=8, Dx=1.335(0) g/cm3, with space group P21(4).

Type
New Diffraction Data
Copyright
Copyright © Cambridge University Press 2002

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Appleman, D. E., and Evans, H. T., Jr. (1973). “Indexing and least-squares refinement of powder diffraction data,” Report No. PB 216188, U.S. Department of Commerce, National Technical Information Service, 5286 Port Royal Rd., Springfield, VA 22151.Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern indexing,” J. Appl. Crystallogr. JACGAR 1, 108. acr, JACGAR CrossRefGoogle Scholar
Smith, G. S., and Snyder, R. (1973). “FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder pattern indexing,” J. Appl. Crystallogr. JACGAR 12, 60. acr, JACGAR Google Scholar
Werner, P. F. (1984). “TREOR, trial and error program for indexing of unknown powder patterns,” University of Stockholm, S 106 91, Stockholm, Sweden.Google Scholar
Jin, Z.-M., Jin, Z., and Zhou, X.-y. (1995). “X-ray powder diffraction analysis of a nonlinear optical material 3-nitro-4-hydroxy-4-bromobenzophenone,” Powder Diffr. PODIE2 10, 117. pdj, PODIE2 Google Scholar