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Related Experiment Videos

A cis-stilbene derivative.

K SethuSankar1, S Saravanan, D Velmurugan

  • 1Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

Acta Crystallographica. Section C, Crystal Structure Communications
|April 25, 2003
PubMed
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This study details the crystal structure of 4'-methoxy-alpha,2,3',4-tetranitrostilbene. Intermolecular interactions, specifically C-H...O bonds, influence its unique cis geometry and crystal packing.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Stilbene derivatives are important in various chemical applications.
  • Understanding molecular packing is crucial for predicting material properties.
  • Nitro-substituted aromatic compounds often exhibit unique electronic and structural characteristics.

Purpose of the Study:

  • To elucidate the crystal structure of 4 ahydro-methoxy-alpha,2,3 ahydro-4-tetranitrostilbene.
  • To investigate the role of intermolecular interactions in the compound's molecular conformation and crystal packing.
  • To characterize the specific geometric parameters, including dihedral and torsion angles, of the title compound.

Main Methods:

  • Single crystal X-ray diffraction analysis.

Related Experiment Videos

  • Determination of crystallographic space group and unit cell parameters.
  • Analysis of intermolecular interactions (e.g., C-H...O bonds) and their impact on molecular geometry.

    • Main Results:

    • The compound crystallizes in the centrosymmetric space group P2(1)/c.
    • A dihedral angle of 57.4 (1) degrees was observed between the phenyl rings, indicating a non-planar conformation.
    • Intermolecular C-H...O interactions were identified as key factors stabilizing the crystal structure and influencing the nitro group orientations.

    Conclusions:

    • The crystal structure of 4 ahydro-methoxy-alpha,2,3 ahydro-4-tetranitrostilbene has been determined.
    • Intermolecular C-H...O hydrogen bonds play a significant role in defining the molecule's conformation and packing arrangement.
    • The study provides insights into the structure-property relationships of nitro-substituted stilbene derivatives.