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Article
Near-perfect Dipole Parallel-alignment in the Highly Anisotropic Crystal Structure of 4-iodoacetophenone-(4-methoxyphenylethylidene) Hydrazone
Journal of Chemical Crystallography
  • Michael A. Lewis
  • Charles Leslie Barnes
  • Rainer Glaser, Missouri University of Science and Technology
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
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2000 Springer Verlag, All rights reserved.
Publication Date
7-1-2000
Publication Date
01 Jul 2000
Disciplines
Citation Information
Michael A. Lewis, Charles Leslie Barnes and Rainer Glaser. "Near-perfect Dipole Parallel-alignment in the Highly Anisotropic Crystal Structure of 4-iodoacetophenone-(4-methoxyphenylethylidene) Hydrazone" Journal of Chemical Crystallography Vol. 30 Iss. 7 (2000) p. 489 - 496 ISSN: 1074-1542; 1572-8854
Available at: http://works.bepress.com/rainer-glaser/85/