Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane

James D. Watson; Amanda Benton; Hugo Tricas; Georgina Margaret Rosair; Alan Jeffrey Welch

doi:10.1107/S2056989019004067

Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane

James D. Watson, Amanda Benton, Hugo Tricas, Georgina Margaret Rosair, Alan Jeffrey Welch

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Abstract

The molecular structure of the title compound 1-(2′,3′,5′,6′-tetrafluoro-4′-trifluoromethylphenyl)-closo-1,2-dicarbadodecaborane, C9H11B10F7, features an intramolecular ortho-F⋯H2 hydrogen bond [2.11 (2) Å], which is responsible for an orientation of the heptafluorotolyl substituent in which the plane of the aryl ring nearly eclipses the C1—C2 cage connectivity.

Original language	English
Pages (from-to)	512-515
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	75
Issue number	4
Early online date	29 Mar 2019
DOIs	https://doi.org/10.1107/S2056989019004067
Publication status	Published - Apr 2019

Keywords

carborane
crystal structure
intramolecular F...H hydrogen-bond

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane",

abstract = "The molecular structure of the title compound 1-(2′,3′,5′,6′-tetrafluoro-4′-trifluoromethylphenyl)-closo-1,2-dicarbadodecaborane, C9H11B10F7, features an intramolecular ortho-F⋯H2 hydrogen bond [2.11 (2) {\AA}], which is responsible for an orientation of the heptafluorotolyl 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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doi = "10.1107/S2056989019004067",

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T1 - Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane

AU - Watson, James D.

AU - Benton, Amanda

AU - Tricas, Hugo

AU - Rosair, Georgina Margaret

AU - Welch, Alan Jeffrey

PY - 2019/4

Y1 - 2019/4

N2 - The molecular structure of the title compound 1-(2′,3′,5′,6′-tetrafluoro-4′-trifluoromethylphenyl)-closo-1,2-dicarbadodecaborane, C9H11B10F7, features an intramolecular ortho-F⋯H2 hydrogen bond [2.11 (2) Å], which is responsible for an orientation of the heptafluorotolyl substituent in which the plane of the aryl ring nearly eclipses the C1—C2 cage connectivity.

AB - The molecular structure of the title compound 1-(2′,3′,5′,6′-tetrafluoro-4′-trifluoromethylphenyl)-closo-1,2-dicarbadodecaborane, C9H11B10F7, features an intramolecular ortho-F⋯H2 hydrogen bond [2.11 (2) Å], which is responsible for an orientation of the heptafluorotolyl substituent in which the plane of the aryl ring nearly eclipses the C1—C2 cage connectivity.

KW - carborane

KW - crystal structure

KW - intramolecular F...H hydrogen-bond

UR - https://www.scopus.com/pages/publications/85065427110

U2 - 10.1107/S2056989019004067

DO - 10.1107/S2056989019004067

M3 - Article

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JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

IS - 4

ER -

Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane

Abstract

Keywords

ASJC Scopus subject areas

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