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. 2019 Mar 29;75(Pt 4):512-515.
doi: 10.1107/S2056989019004067. eCollection 2019 Apr 1.

Crystal structure of 1-hepta-fluoro-tolyl- closo-1,2-dicarbadodeca-borane

James D Watson  1 , Amanda Benton  1 , Hugo Tricas  1 , Georgina M Rosair  1 , Alan J Welch  1
Affiliations

Crystal structure of 1-hepta-fluoro-tolyl- closo-1,2-dicarbadodeca-borane

James D Watson et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

The mol-ecular structure of the title compound 1-(2',3',5',6'-tetra-fluoro-4'-trifluoro-methyl-phen-yl)-closo-1,2-dicarbadodeca-borane, C9H11B10F7, features an intra-molecular ortho-F⋯H2 hydrogen bond [2.11 (2) Å], which is responsible for an orientation of the hepta-fluoro-tolyl substituent in which the plane of the aryl ring nearly eclipses the C1-C2 cage connectivity.

Keywords: carborane; crystal structure; intra­molecular F⋯H hydrogen-bond.

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Figures

Figure 1
Figure 1
The mol­ecular structure of [1-(4′-F3CC6F4)-closo-1,2-C2B10H11] with key atoms labelled. Displacement ellipsoids are drawn at the 50% probability level, except for H atoms. The hydrogen bond between F12 and H2 is shown as a dotted line.
Figure 2
Figure 2
Unit cell of [1-(4′-F3CC6F4)-closo-1,2-C2B10H11] in a view along [100].
See this image and copyright information in PMC

References

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