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meso-Bis(phenylsulfinyl)methane.

S Kannan1, Anwar Usman, Hoong-Kun Fun

  • 1Fuel Chemistry Division, Bhabha Atomic Research Center, Mumbai 400 085, India.

Acta Crystallographica. Section C, Crystal Structure Communications
|May 14, 2003
PubMed
Summary
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This study details the anti conformation and R/S configurations of a novel meso-organic compound. Molecular structure and crystal packing reveal specific interactions influencing its stability.

Area of Science:

  • Organic Chemistry
  • Crystallography
  • Molecular Structure

Background:

  • Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
  • Sulfur-containing organic molecules, particularly those with sulfinyl groups, exhibit diverse structural motifs and potential applications.

Purpose of the Study:

  • To elucidate the precise molecular conformation and stereochemistry of the title compound, meso-C13H12O2S2.
  • To analyze the intermolecular interactions and crystal packing that stabilize the solid-state structure.

Main Methods:

  • X-ray crystallography was employed to determine the solid-state structure.
  • Conformational analysis was performed based on the determined atomic coordinates.

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Main Results:

  • The compound exists in an anti conformation with defined R and S configurations at the sulfur atoms.
  • Trans orientation of oxygen atoms and benzene rings, with phenylsulfinyl groups nearly orthogonal to the central dithiomethane core.
  • Molecular columns stabilized by weak C-H...O interactions were observed in the crystal packing.

Conclusions:

  • The study provides a detailed structural characterization of meso-C13H12O2S2.
  • The findings highlight the role of stereochemistry and non-covalent interactions in dictating the solid-state architecture of organic sulfur compounds.