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1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetra-fluoro-borate.

ABSTRACT: In the title salt, C(13)H(19)N(2) (+)·BF(4) (-), an ionic liquid, the butyl and ethyl substituents bonded to the N atoms of the imidazole ring [r.m.s. deviation = 0.019?(1)?Å] adopt equatorial positions. The crystal structure exhibits slipped ?-? inter-actions between the imidazole and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.529?(2)?Å]. In the tetra-fluoro-borate anion, the B and F atoms are disordered over two sets of sites with site-occupancy factors of 0.813?(7) and 0.187?(7).

SUBMITTER: Junge DM

PROVIDER: S-EPMC3470219 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

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1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetra-fluoro-borate.

Junge Denise M DM Scadova Derek R DR Golen James A JA Jasinski Jerry P JP

Acta crystallographica. Section E, Structure reports online 20120905 Pt 10

In the title salt, C(13)H(19)N(2) (+)·BF(4) (-), an ionic liquid, the butyl and ethyl substituents bonded to the N atoms of the imidazole ring [r.m.s. deviation = 0.019 (1) Å] adopt equatorial positions. The crystal structure exhibits slipped π-π inter-actions between the imidazole and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.529 (2) Å]. In the tetra-fluoro-borate anion, the B and F atoms are disordered over two sets of sites with site-occupancy factors of 0.813 ( ...[more]

PMID: 23125663

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