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

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.