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Chao-Yan Zhang1, Qian Gao, Yue Cui

  • 1College of Environmental and Energy Engineering, Beijing University of Technology, Beijing 100022, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 18, 2011
PubMed
Summary

This study details the crystal structure of a novel organic compound, C(18)H(16)N(2)O(2)S(2). The molecular geometry and intermolecular interactions, including hydrogen bonds and pi-stacking, were analyzed.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Supramolecular Chemistry

Background:

  • Understanding molecular interactions is crucial for designing new materials.
  • Crystal structure analysis provides insights into intermolecular forces.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C(18)H(16)N(2)O(2)S(2).
  • To investigate the dihedral angles between the aromatic rings and identify short intramolecular contacts.
  • To analyze the intermolecular interactions stabilizing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular structure.
  • Analysis of dihedral angles and C-H⋯S contacts was performed.
  • Intermolecular interactions, including hydrogen bonds and π-π stacking, were identified.

Main Results:

  • The benzene ring exhibited dihedral angles of 7.41° and 86.59° with the pyridine N-oxygen rings.
  • Two short intramolecular C-H⋯S contacts were observed.
  • Crystal packing is stabilized by C-H⋯O hydrogen bonds, C-H⋯π interactions, and π-π stacking (3.7596 Å).

Conclusions:

  • The study provides a detailed structural characterization of C(18)H(16)N(2)O(2)S(2).
  • The identified intermolecular interactions offer insights into the compound's solid-state properties and potential applications.