5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate

Abstract

The title compound, C18H18N3O+·PF6−, is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N—CH—N group in the triazolium ring conforms to a typical three-center/four-electron bond (also known as the Pimentel–Rundle three-center model). The structure is completed by a disordered PF6− counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which interacts with the main molecule through weak intermolecular P—F...π interactions.