Acta Cryst. (2009). E65, o1328  [ doi:10.1107/S1600536809018005 ]

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

Y. Huang, S. Wei, Z. Wang, Z. Mao and X. Su

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 interactions.

Online 20 May 2009

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