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

Hillesheim PC, Scipione KA - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Mississippi State University, Department of Chemistry, 1115 Hand Lab, Box 9573, Mississippi State, MS 39762, USA.

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 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.

No MeSH data available.


The molecular structure of the title compound with 50% probability ellipsoids. Nitrogen atoms shown in blue, carbon in grey, fluorine in pink, and phosphorous in green.
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Fap1: The molecular structure of the title compound with 50% probability ellipsoids. Nitrogen atoms shown in blue, carbon in grey, fluorine in pink, and phosphorous in green.


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

Hillesheim PC, Scipione KA - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title compound with 50% probability ellipsoids. Nitrogen atoms shown in blue, carbon in grey, fluorine in pink, and phosphorous in green.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257422&req=5

Fap1: The molecular structure of the title compound with 50% probability ellipsoids. Nitrogen atoms shown in blue, carbon in grey, fluorine in pink, and phosphorous in green.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Mississippi State University, Department of Chemistry, 1115 Hand Lab, Box 9573, Mississippi State, MS 39762, USA.

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 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.

No MeSH data available.