Hostname: page-component-84b7d79bbc-rnpqb Total loading time: 0 Render date: 2024-07-30T09:23:46.118Z Has data issue: false hasContentIssue false

X-ray powder diffraction analysis of a nonlinear optical material o–chlorobenzol–benzoyl thiourea

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
Bo Zhao
Affiliation:
Department of Chemistry, Suzhou University, 1 Shizi Street, Suzhou, 215006, People's Republic of China
Weiqun Zhou
Affiliation:
Biotechnics college, 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

Abstract

A nonlinear optical material, o–chlorobenzol–benzoyl thiourea (C14H11ClN2OS), 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 78 observed reflection with 2θ up to 72° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 28 nonoverlapping peaks of the monoclinic compound with a P2 space group are a=13.2797(4) Å, b=12.4058(8) Å, c=8.1561(2) Å, β=95.398(1)°, V=1337.7(4) Å3, Z=4, Dx=1.444 g/cm3. © 1997 International Centre for Diffraction Data.

Type
Research Article
Copyright
Copyright © Cambridge University Press 1997

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,” Rep. 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. 1, 108.CrossRefGoogle Scholar
Jin, Zong-ming, Jin, Zheng, and Zhou, Xiang-yin (1995). “X-Ray Powder Diffraction Analysis of a Nonlinear Optical Material 3-nitro-4-hydroxy-4-bromobenzophenone,” Powder Diffr. 10(2), 117.CrossRefGoogle Scholar
Smith, G. S., and Snyder, R. L. (1973). “FN: A Criterion for Rating Powder Diffraction Patterns and Evaluating the Reliability of Powder Pattern Indexing,” J. Appl. Crystallogr. 12,60.CrossRefGoogle 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