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1-Benzyl-imidazolium hexa-fluoro-phosphate-1-benzyl-imidazole (1/1).

ABSTRACT: In the title compound, C(10)H(11)N(2) (+)·PF(6) (-)·C(10)H(10)N(2), the H atom involved in protonation is disordered equally between the cation and the neutral mol-ecule. The dihedral angle between the phenyl and imidazole rings is 82.6?(2)°. In the crystal structure, there are head-to-tail ?-? stacking inter-actions between imidazole rings; the inter-planar separation is 3.295?(1)?Å and the centroid-centroid separation is 3.448?(3)?Å. In the centrosymmetric anion, two F atoms are disordered over two positions; the refined site-occupancy factors are 0.855?(11) and 0.145?(11).

SUBMITTER: Zang Y

PROVIDER: S-EPMC2960327 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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1-Benzyl-imidazolium hexa-fluoro-phosphate-1-benzyl-imidazole (1/1).

Zang Yan Y Wu Xiu-Mei XM Zheng Zhan-Ying ZY Song Hai-Bin HB Liu Qing-Xiang QX

Acta crystallographica. Section E, Structure reports online 20080123 Pt 2

In the title compound, C(10)H(11)N(2) (+)·PF(6) (-)·C(10)H(10)N(2), the H atom involved in protonation is disordered equally between the cation and the neutral mol-ecule. The dihedral angle between the phenyl and imidazole rings is 82.6 (2)°. In the crystal structure, there are head-to-tail π-π stacking inter-actions between imidazole rings; the inter-planar separation is 3.295 (1) Å and the centroid-centroid separation is 3.448 (3) Å. In the centrosymmetric anion, two F atoms are disordered ove ...[more]

PMID: 21201503

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