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(5-Fluoro-4'-methyl-biphenyl-3-yl)(2,4,6-tri-methyl-phen-yl)iodo-nium tri-fluoro-methane-sulfonate.

ABSTRACT: In the title mol-ecular salt, C22H21FI(+)·CF3SO3 (-), the dihedral angle between the rings of the biphenyl group is 65.6?(1)°. The ring of the mesitylene group is inclined to the fluoro-benzene ring at an angle of 86.1?(3)° and the C-I-C bond angle is 97.0?(2)°. In the crystal, extremely short I?O contacts of 2.862?(5) and 2.932?(5)?Å occur, due to the strong electrostatic inter-actions between the I atom and two adjacent tri-fluoro-methane-sulfonate counter-ions. There are also C-H?F and C-H?? inter-actions present: together with the I?O bonds, these result in a three-dimensional network.

SUBMITTER: Shao Y

PROVIDER: S-EPMC4011304 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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(5-Fluoro-4'-methyl-biphenyl-3-yl)(2,4,6-tri-methyl-phen-yl)iodo-nium tri-fluoro-methane-sulfonate.

Shao Ying Y Liu Xiao-Long XL Wu Zhu-Hong ZH Xia Yong-An YA

Acta crystallographica. Section E, Structure reports online 20140405 Pt 5

In the title mol-ecular salt, C22H21FI(+)·CF3SO3 (-), the dihedral angle between the rings of the biphenyl group is 65.6 (1)°. The ring of the mesitylene group is inclined to the fluoro-benzene ring at an angle of 86.1 (3)° and the C-I-C bond angle is 97.0 (2)°. In the crystal, extremely short I⋯O contacts of 2.862 (5) and 2.932 (5) Å occur, due to the strong electrostatic inter-actions between the I atom and two adjacent tri-fluoro-methane-sulfonate counter-ions. There are also C-H⋯F and C-H⋯π ...[more]

PMID: 24860336

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