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Triphenyl(3,4,5-triiodophenyl)methane.

C Malla Reddy1, Ashwini Nangia, Ram K R Jetti

  • 1School of Chemistry, University of Hyderabad, Hyderabad 500 046, India.

Acta Crystallographica. Section C, Crystal Structure Communications
|May 8, 2004
PubMed
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The crystal structure of 1,2,3-triiodo-5-(triphenylmethyl)benzene was analyzed, revealing specific iodine-iodine and iodine-pi interactions. These interactions form dimers and networks, influencing the molecule's arrangement.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Supramolecular Chemistry

Background:

  • Understanding intermolecular interactions is crucial for predicting crystal packing and material properties.
  • Halogen bonding, particularly involving iodine, is an increasingly important area of study in crystal engineering.
  • Triphenylmethyl groups can influence crystal structures through steric and electronic effects.

Purpose of the Study:

  • To elucidate the crystal structure of 1,2,3-triiodo-5-(triphenylmethyl)benzene.
  • To analyze the role of iodine-iodine (I.I) and iodine-pi (I.pi) interactions in the crystal packing.
  • To investigate the presence and significance of the herring-bone T motif in the phenyl groups.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the three-dimensional crystal structure.

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  • Crystallographic data were analyzed to identify and quantify I.I and I.pi interactions.
  • Intermolecular distances and angles were measured to characterize the observed interactions and motifs.

    • Main Results:

    • The crystal structure contains two molecules (A and B) in the asymmetric unit.
    • Inversion-related A molecules form I.pi dimers with an interaction distance of 3.641 Å.
    • Dimers are further connected by symmetry-independent B molecules through I.I (3.5571 Å) and I.pi (3.561 Å) interactions.

    Conclusions:

    • The crystal structure is stabilized by a combination of I.I and I.pi interactions.
    • These interactions lead to the formation of extended networks through dimerization and intermolecular connections.
    • The findings contribute to the understanding of halogen bonding and crystal packing in complex organic molecules.