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Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexa-fluorido-phosphate.

ABSTRACT: In the title salt, C11H13N2 (+)·PF6 (-), the dihedral angle between the planes of the imidazole and benzene rings is 84.72?(4)°. In the crystal, C-H?F inter-actions connect the cation and anion pairs into a three-dimensional network. Weak ?-? inter-actions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent mol-ecule with C?C and C?N distances ranging from 3.3714?(16) to 3.4389?(15)?Å.

SUBMITTER: Hillesheim PC

PROVIDER: S-EPMC4257422 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexa-fluorido-phosphate.

Hillesheim Patrick C PC Scipione Kent A KA

Acta crystallographica. Section E, Structure reports online 20141112 Pt 12

In the title salt, C11H13N2 (+)·PF6 (-), the dihedral angle between the planes of the imidazole and benzene rings is 84.72 (4)°. In the crystal, C-H⋯F inter-actions connect the cation and anion pairs into a three-dimensional network. Weak π-π inter-actions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent mol-ecule with C⋯C and C⋯N distances ranging from 3.3714 (16) to 3.4389 (15) Å. ...[more]

PMID: 25553025

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