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The crystal structure of 2,2′-bis-1,3-dithiole and dimethyl dicyanofumarate CT complex

  • J. E. Mulvaney
  • L. Pang
  • R. J. Cramer
  • H. K. HallJr.
Article

Abstract

The crystal structure of 2,2′-bis-1,3-dithiole dimethyl dicyanofumarate has been determined from a single-crystal X-ray study. The compound crystallizes in the monoclinic space groupP21/c with two complexes per unit cell of dimensionsa=11.075(2)Å,b=11.615(3)Å,c=6.623(4)Å, α=γ=90.0°,β=95.7(16)°, andV=847.6(9)Å3. The observed and calculated densities are 1.56 and 1.57 g cm−3 respectively. Full-matrix least-squares refinement using 404 reflections having 4°⩽2θ⩽50° andI⩾3σ(I) converged atR=0.0492 andR w =0.0614. Structural parameters in bond lengths and bond angles do not change to any observable extent when comparing the parent molecules to the complexed state. AnOrtep view along thec-axis shows the units to be arranged in segregated parallel stacks with a distance of 3.31 Å between layers.

Keywords

Reflection Physical Chemistry Crystal Structure Inorganic Chemistry Dimethyl 
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 Corporation 1982

Authors and Affiliations

  • J. E. Mulvaney
    • 1
  • L. Pang
    • 1
  • R. J. Cramer
    • 1
  • H. K. HallJr.
    • 1
  1. 1.Department of ChemistryUniversity of ArizonaTucson

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