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3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate).

ABSTRACT: IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3,3'-Dibutyl-1,1'-(5-methyl-m-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(hexa-fluoridophosphate)], C(23)H(34)N(4) (2+)·2PF(6) (-), the imidazole rings are inclined at angles of 68.06?(7) and 75.05?(8)° with respect to the central benzene ring. In the crystal, mol-ecules are linked into one-dimensional columns along [010] via weak inter-molecular C-H?F hydrogen bonds. The crystal structure is further consolidated by weak C-H??(arene) inter-actions. One of the n-butyl groups is disordered over two sites with refined occupancies of 0.694?(5) and 0.306?(5). In addition, four of the F atoms of one of the PF(6) (-) cations are disordered over two sites with occupancies of 0.64?(3) and 0.36?(3).

SUBMITTER: Haque RA

PROVIDER: S-EPMC3009333 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate).

Haque Rosenani A RA Washeel Abbas A Teoh Siang Guan SG Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101013 Pt 11

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3,3'-Dibutyl-1,1'-(5-methyl-m-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(hexa-fluoridophosphate)], C(23)H(34)N(4) (2+)·2PF(6) (-), the imidazole rings are inclined at angles of 68.06 (7) and 75.05 (8)° with respect to the central benzene ring. In the crystal, mol-ecules are linked into one-dimensional columns along [010] via weak inter-molecular C-H⋯F hydrogen bonds. The crystal structure is further consolidated by weak C-H⋯π(arene) inter-actions. One of ...[more]

PMID: 21588994

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