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

Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):o1328. doi: 10.1107/S1600536809018005.

Abstract

The title compound, C(18)H(18)N(3)O(+)·PF(6) (-), 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 PF(6) (-) counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which inter-acts with the main mol-ecule through weak inter-molecular P-F⋯π inter-actions.