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

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.

SUBMITTER: Watson JD

PROVIDER: S-EPMC6509674 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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

Watson James D JD Benton Amanda A Tricas Hugo H Rosair Georgina M GM Welch Alan J AJ

Acta crystallographica. Section E, Crystallographic communications 20190329 Pt 4

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. ...[more]

PMID: 31161066

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