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1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl-methyl]imidazolium hexa-fluoro-phos-phate.

ABSTRACT: In the title compound, C(20)H(19)N(2) (+)·PF(6) (-), the two benzocyclo-butene units are essentially planar and they form dihedral angles of 38.0?(2) and 72.7?(2)°, with the central imidazolium ring. In the crystal structure, weak C-H?? and ?--? stacking inter-actions [centroid-centroid distance = 3.742?(2)?Å] contribute to the stability of the crystal structure. The PF(6) (-) ion is disordered over two positions with site occupancies of 0.869?(9) and 0.131?(9).

SUBMITTER: Zhu FH

PROVIDER: S-EPMC2960209 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl-methyl]imidazolium hexa-fluoro-phos-phate.

Zhu Fang-Hua FH Yang Jun-Xiao JX Mao Zhi-Hua ZH Xie Ru-Gang RG

Acta crystallographica. Section E, Structure reports online 20080111 Pt 2

In the title compound, C(20)H(19)N(2) (+)·PF(6) (-), the two benzocyclo-butene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C-H⋯π and π--π stacking inter-actions [centroid-centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF(6) (-) ion is disordered over two positions with site occupancies of 0.869 (9) and 0.131 (9). ...[more]

PMID: 21201461

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