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1,2,3-Trifluoro-benzene.

ABSTRACT: In the title compound, C(6)H(3)F(3), weak electrostatic and dispersive forces between C(?+)-F(?-) and H(?+)-C(?-) groups are at the borderline of the hydrogen-bond phenomenon and are poorly directional and further deformed in the presence of ?-? stacking inter-actions. The mol-ecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two anti-dromic C-H?F hydrogen bonds. These tapes are, in turn, connected into corrugated two-dimensional sheets by bifurcated C-H?F hydrogen bonds. Packing in the third dimension is furnished by ?-? stacking inter-actions with a centroid-centroid distance of 3.6362?(14)?Å.

SUBMITTER: Kirchner MT

PROVIDER: S-EPMC2971369 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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1,2,3-Trifluoro-benzene.

Kirchner Michael T MT Bläser Dieter D Boese Roland R Thakur Tejender S TS Desiraju Gautam R GR

Acta crystallographica. Section E, Structure reports online 20091007 Pt 11

In the title compound, C(6)H(3)F(3), weak electrostatic and dispersive forces between C(δ+)-F(δ-) and H(δ+)-C(δ-) groups are at the borderline of the hydrogen-bond phenomenon and are poorly directional and further deformed in the presence of π-π stacking inter-actions. The mol-ecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two anti-dromic C-H⋯F hydrogen bonds. These tapes are, in turn, connected into corrugated two-dimensional sheets by bifu ...[more]

PMID: 21578279

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