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Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction

Published online by Cambridge University Press:  10 January 2013

A. V. Yatsenko ,
V. V. Chernyshev ,
S. G. Zhukov ,
E. J. Sonneveld  and
H. Schenk
A. V. Yatsenko
Affiliation:
General Chemistry Faculty, Department of Chemistry, Moscow State University, 119899 Moscow, Russia
V. V. Chernyshev
Affiliation:
General Chemistry Faculty, Department of Chemistry, Moscow State University, 119899 Moscow, Russia
S. G. Zhukov
Affiliation:
General Chemistry Faculty, Department of Chemistry, Moscow State University, 119899 Moscow, Russia
E. J. Sonneveld
Affiliation:
Laboratory for Crystallography, Institute for Molecular Studies, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands
H. Schenk
Affiliation:
Laboratory for Crystallography, Institute for Molecular Studies, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands
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Abstract

In the framework of the study of the relationship between crystal packing of solid dyes and their visible reflectance spectra, the crystal structure of 3-methoxy-7H-benz[de]anthracen-7-one (Disperse Yellow 13, C18H12O2) has been determined using a combined set of Bragg–Brentano diffractometer and Guinier–Johannson photographic data with the grid search procedure. Parameters of the orthorhombic cell (P212121, No.19, Z=4) at 295 K are a=15.265(9) Å, b=20.524(9) Å, c=3.990(2) Å. Rietveld refinement gave Rp=0.085, Rb=0.135. The molecules form stacks along [001] with an interplanar spacing of 3.46 Å.

Keywords

structure determinationRietveld refinementX-ray diffraction

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Type
Research Article
Information
Powder Diffraction , Volume 14 , Issue 2 , June 1999 , pp. 133 - 135
Copyright
Copyright © Cambridge University Press 1999

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