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5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate
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 b...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969544/ https://www.ncbi.nlm.nih.gov/pubmed/21583182 http://dx.doi.org/10.1107/S1600536809018005 |
| Sumario: | 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 interacts with the main molecule through weak intermolecular P—F⋯π interactions. |
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