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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
Article

Abstract

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.

Keywords

Hydrogen Physical Chemistry Inorganic Chemistry Hydrogen Atom Molecular Structure 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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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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