Journal of Crystal and Molecular Structure

, Volume 2, Issue 4, pp 151–158 | Cite as

Crystal and molecular structure of dithiobiuret

  • W. A. SpoffordIII
  • E. L. Amma


The crystal and molecular structure of dithiobiuret (S2C2N3H5) has been determined and refined from 1020 intensities measured by counter techniques at room temperature. The full-matrix refinement, including anisotropic temperature factors for the non-hydrogen atoms and isotropic temperature factors for the hydrogen atoms, converged to a finalR of 0·033. The structure consists of almost planar molecules in thetrans configuration with essentially only van der Waals interactions between molecules. The two independent C-S distances are 1·702(3) and 1·673(3) Å. The internal C-N distances are 1·386(4) and 1·367(4) Å, whereas the external C-N distances are 1·331(4) and 1·309(4) Å. The unit cell parameters area = 4·081(1),b = 17·684(5),c = 8·222(3) Å and β = 100·56(2) °;Z = 4,Dm =Dc = 1·54 gcm−3; the space group isP21/c.


Hydrogen Physical Chemistry Inorganic Chemistry Hydrogen Atom Molecular Structure 
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Copyright information

© Plenum Publishing Company Limited 1972

Authors and Affiliations

  • W. A. SpoffordIII
    • 1
  • E. L. Amma
    • 1
  1. 1.Department of ChemistryUniversity of South CarolinaColumbiaUSA

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