Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
The Crystal Structure of the Perylene-Tetracyanoethylene Complex
Isao IkemotoHaruo Kuroda
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1967 Volume 40 Issue 9 Pages 2009-2012


The crystal structure of the perylene-tetracyanoethylene (TCNE) complex has been determined by the two-dimensional Fourier synthesis and by difference synthesis. The monoclinic unit cell dimensions are: a=15.79, b=8.28, c=7.31 Å, and β=96.1°. Two perylene and two TCNE molecules are in a unit cell. The space group is P21a. Perylene and TCNE molecules are stacked alternately along the b-axis, making their molecular planes parallel to each other. The center of a TCNE molecule is not directly above that of the neighboring perylene molecule. The mean separation of the molecular planes is 3.23 Å.

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