Structural Chemistry

, Volume 28, Issue 3, pp 723–733 | Cite as

Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group

  • Junyi Du
  • Guoxiong Hua
  • Peter Beier
  • Alexandra M. Z. Slawin
  • J. Derek Woollins
Original Research


Nine pentafluorosulfuranyl (SF5)-containing aromatic compounds have been characterized crystallographically. The SF5 group has an umbrella geometry, and the sulfur atom in the SF5 group is in an approximately octahedral coordination environment. All S–F bond lengths [1.572(3)–1.618(3) Å] are very similar, and the C–S–Fax bond angles [178.94(14)–180°] are very close to each other. The angle of two adjacent Feq is approximately 90°. The intramolecular and intermolecular interactions such as Caryl–H···Feq, Caryl–H···O/N/F/Cl interactions, and π-stacking interactions play a very important role in their three-dimensional packing frameworks.


Pentafluorosulfuranyl (SF5) group Aromatic compounds Single crystal X-ray structure Intramolecular interactions Intermolecular interactions 



We are grateful to the University of St Andrews for financial support.

Supplementary material

11224_2016_854_MOESM1_ESM.docx (65 kb)
Supplementary material 1 (DOCX 65 kb)


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Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  • Junyi Du
    • 1
  • Guoxiong Hua
    • 1
  • Peter Beier
    • 2
  • Alexandra M. Z. Slawin
    • 1
  • J. Derek Woollins
    • 1
  1. 1.EastChem School of ChemistryUniversity of St AndrewsFifeUK
  2. 2.The Institute of Organic Chemistry and BiochemistryCzech Academy of SciencesPraugeCzech Republic

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