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Structure of Liquid Crystalline 1-Phenyl-3-{4-[4-(4-Octyloxybenzoyloxy) Phenyloxycarbonyl]phenyl}triazene-1-Oxide At Low Temperature
Molecular Crystals and Liquid Crystals
  • Purak K. Das
  • Achintesh Narayan Biswas
  • Suvra N Acharya
  • Amitava Choudhury, Missouri University of Science and Technology
  • Pinaki K. Bandyopadhyay
  • Pradip Kumar Mandal
  • Shailesh Upreti

The molecular structure of 1-phenyl-3-{4-[4-(4-octyloxybenzoyloxy)- phenyloxycarbonyl]phenyl}triazene-1-oxide, a member of newly developed liquid crystalline homologous series, has been investigated by crystal X-ray crystallography at low temperature (100K). The title compound crystallizes in the triclinic crystal class in the space group P[image omitted] with cell parameters a=5.766(5), b=12.151(10), c=21.751(17), =79.089(13), =88.646(14), =84.278(14), V=1489(2)3 for Z=2. It establishes the N-oxide form of the triazene-1-oxide moiety. The overall molecule is not planar, the dihedral angles between pairs of adjacent benzene rings are 14.00 (10), 52.36 (07), and 50.57 (07). Intramolecular N-HO hydrogen-bonding is present within the triazene-1-oxide moiety of the title compound. The compound forms inversion dimer via an intermolecular N-HO and an intermolecular C-HO links. The dimers are then linked into chains in a parallel fashion by C-HO hydrogen bonds. The crystal packing is further stabilized by C-H interactions.

Keywords and Phrases
  • Benzene ring,
  • Cell parameter,
  • Crystal packings,
  • Dihedral angles,
  • Homologous series,
  • Hydrogen bondings,
  • Hydrogen-bonding interaction,
  • Liquid-crystalline,
  • Low temperatures,
  • Space Groups,
  • Structure of liquids,
  • Title compounds,
  • Triazene-1-oxide,
  • Triclinic crystal,
  • Benzene,
  • Cell membranes,
  • Crystal structure,
  • Crystals,
  • Hydrogen,
  • Hydrogen bonds,
  • Light sources,
  • Liquid crystals,
  • Mineralogy,
  • Oligomers,
  • Reaction kinetics,
  • Self assembly,
  • X ray crystallography,
  • Hydrogen-bonding interaction,
  • Liquid crystals,
  • Triazene-1-oxide,
  • X-ray crystallography
Document Type
Article - Journal
Document Version
File Type
© 2009 Taylor & Francis Ltd., All rights reserved.
Publication Date
Publication Date
01 Apr 2009
Citation Information
Purak K. Das, Achintesh Narayan Biswas, Suvra N Acharya, Amitava Choudhury, et al.. "Structure of Liquid Crystalline 1-Phenyl-3-{4-[4-(4-Octyloxybenzoyloxy) Phenyloxycarbonyl]phenyl}triazene-1-Oxide At Low Temperature" Molecular Crystals and Liquid Crystals Vol. 501 Iss. 1 (2009) p. 53 - 61 ISSN: 1542-1406
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