Near-perfect Dipole Parallel-alignment in the Highly Anisotropic Crystal Structure of 4-iodoacetophenone-(4-methoxyphenylethylidene) Hydrazone

Abstract

The title compound crystallizes in the space group Pna2(1) with cell parameters a = 6.4606(3), b = 7.2155(3) and c = 33.5878(16) Å. The azine shows a gauche conformation about the N-N bond and there is an angle of 58.1° between the benzene rings of each azine. This conformation allows for two intermolecular arene-arene T-contacts between pairs of benzene rings. The characteristic structural motif features T-contact formation between like-substituted arene rings and this architecture results in a highly dipole-parallel aligned lattice. All azines are perfectly colinear within each layer and the orientations of the azines in different layers are nearly the same. The surfaces of the layers exhibit a quadrilateral kite-shaped arrangement of I-atoms and of OCH3-substituents. The layers pack such that the OCH3-carbon atoms are placed above the interstices between the I-atoms in the adjacent layer.

Department(s)

Chemistry

Keywords and Phrases

Dipole parallel-alignment; anisotropy; arene-arene contacts; intermolecular interactions; nonlinear optics; azines

International Standard Serial Number (ISSN)

1074-1542; 1572-8854

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2000 Springer Verlag, All rights reserved.

Publication Date

01 Jul 2000

Link to Full Text

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