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

Junyi Du, Guoxiong Hua, Petr Beier, Alexandra M. Z. Slawin, J. Derek Woollins

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)
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Abstract

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) to 1.618(3) Å] are very similar and the C-S-Fax bond angles [178.94(14) to 180°] are very close to each other. The angle of two adjacent Feq is approximate to 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-dimension packing frameworks.
Original languageEnglish
Pages (from-to)723-733
Number of pages11
JournalStructural Chemistry
Volume28
Issue number3
Early online date4 Oct 2016
DOIs
Publication statusPublished - Jun 2017

Keywords

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

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