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1-{2-[2-(1H-Benzimidazol-1-yl)eth-oxy]eth-yl}-1H-benzimidazol-3-ium hexa-fluoro-phosphate.

ABSTRACT: In the title salt, C(18)H(19)N(4)O(+)·PF(6) (-), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24?(2)°. In the cation, a ?-? inter-action is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid-centroid distance = 3.5713?(11)?Å]. The PF(6) (-) ion is disordered over two sites, with occupancies of 0.895?(2) and 0.105?(2). In the crystal structure, pairs of N-H?N hydrogen bonds link the cations, forming centrosymmetric dimers. The dimers are linked via ?-? inter-actions [centroid-centroid distance = 3.5606?(11)?Å]. In addition, C-H?F hydrogen bonds are observed.

SUBMITTER: Sun SF

PROVIDER: S-EPMC2979123 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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1-{2-[2-(1H-Benzimidazol-1-yl)eth-oxy]eth-yl}-1H-benzimidazol-3-ium hexa-fluoro-phosphate.

Sun Sheng-Fu SF Xu Jin J Qin Da-Bin DB

Acta crystallographica. Section E, Structure reports online 20100424 Pt 5

In the title salt, C(18)H(19)N(4)O(+)·PF(6) (-), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24 (2)°. In the cation, a π-π inter-action is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid-centroid distance = 3.5713 (11) Å]. The PF(6) (-) ion is disordered over two sites, with occupancies of 0.895 (2) and 0.105 (2). In the crystal structure, pairs of N-H⋯N hydrogen bonds link the cations, forming centrosy ...[more]

PMID: 21579212

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