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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
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1,1'-(Ethane-1,2-di-yl)bis-(3-phenyl-thio-urea).

Pramod B Pansuriya1, Holger B Friedrich, Glenn E M Maguire

  • 1School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa.

Acta Crystallographica. Section E, Structure Reports Online
|January 6, 2012
PubMed
Summary

This study reveals the crystal structure of a C(16)H(18)N(4)S(2) molecule, highlighting its unique symmetry and intermolecular hydrogen bonding. The findings describe the formation of sheet-like structures in the ab plane.

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Area of Science:

  • Crystallography
  • Molecular Chemistry
  • Solid-State Chemistry

Background:

  • Understanding molecular structure and intermolecular interactions is crucial in chemistry.
  • Crystallographic symmetry plays a key role in determining material properties.

Purpose of the Study:

  • To elucidate the complete molecular structure of the title compound, C(16)H(18)N(4)S(2).
  • To investigate the intermolecular interactions and their influence on crystal packing.

Main Methods:

  • X-ray crystallography was employed to determine the three-dimensional structure.
  • Analysis of crystallographic data to identify symmetry elements and hydrogen bonding networks.

Main Results:

  • The molecule is generated by crystallographic inversion symmetry.
  • A dihedral angle of 52.9(4)° was measured between the phenyl ring and the thio-urea group.
  • Intermolecular N-H⋯S hydrogen bonding was observed, leading to the formation of sheets in the ab plane.

Conclusions:

  • The crystal structure of C(16)H(18)N(4)S(2) is characterized by inversion symmetry and specific dihedral angles.
  • The identified hydrogen bonding network dictates the formation of extended sheet structures.