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2,5-Diphenyl-2,5,6,8-tetra-hydro-1,2,4-triazolo[3,4-c][1,4]oxazin-4-ium hexa-fluorido-phosphate.

ABSTRACT: The title compound, C(17)H(16)N(3)O(+)·PF(6) (-), is a chiral bicyclic 1,2,4-triazolium salt. In the crystal packing, C-H?O and C-H?F hydrogen bonds and P-F?? contacts [4.078?(11)-4.163?(11)?Å, involving the triazolium ring] play an important role in enhancing the stability of the crystal structure.

SUBMITTER: Wu J

PROVIDER: S-EPMC2962205 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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2,5-Diphenyl-2,5,6,8-tetra-hydro-1,2,4-triazolo[3,4-c][1,4]oxazin-4-ium hexa-fluorido-phosphate.

Wu Jie J Wei Siping S Liu Bo B Wang Wenhai W Lan Jingbo J

Acta crystallographica. Section E, Structure reports online 20080726 Pt 8

The title compound, C(17)H(16)N(3)O(+)·PF(6) (-), is a chiral bicyclic 1,2,4-triazolium salt. In the crystal packing, C-H⋯O and C-H⋯F hydrogen bonds and P-F⋯π contacts [4.078 (11)-4.163 (11) Å, involving the triazolium ring] play an important role in enhancing the stability of the crystal structure. ...[more]

PMID: 21203295

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