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1-Benzyl-3-phenyl-imidazolium hexa-fluoro-phosphate.

ABSTRACT: in the title compound, C(16)H(15)N(2) (+)·PF(6) (-), a precursor of N-heterocyclic carbene, the phenyl and benzyl rings are twisted away from the central imidazolium ring system, making dihedral angles of 70.30?(8) and 32.03?(10)°, respectively. The crystal structure is stabilized by C-H?F hydrogen bonds. Furthermore, P-F?? inter-actions involving imidazolium rings are observed [F?? = 2.9857?(16), P?? = 4.1630?(16)?Å, P-F?? = 127.92?(6)°].

SUBMITTER: Jiang P

PROVIDER: S-EPMC2969867 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1-Benzyl-3-phenyl-imidazolium hexa-fluoro-phosphate.

Jiang Ping P

Acta crystallographica. Section E, Structure reports online 20090819 Pt 9

in the title compound, C(16)H(15)N(2) (+)·PF(6) (-), a precursor of N-heterocyclic carbene, the phenyl and benzyl rings are twisted away from the central imidazolium ring system, making dihedral angles of 70.30 (8) and 32.03 (10)°, respectively. The crystal structure is stabilized by C-H⋯F hydrogen bonds. Furthermore, P-F⋯π inter-actions involving imidazolium rings are observed [F⋯π = 2.9857 (16), P⋯π = 4.1630 (16) Å, P-F⋯π = 127.92 (6)°]. ...[more]

PMID: 21577583

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