Cargando…

1,2,3-Trifluoro­benzene

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 inter­actions. The mol­ecule lies on a twofol...

Descripción completa

Detalles Bibliográficos
Autores principales: Kirchner, Michael T., Bläser, Dieter, Boese, Roland, Thakur, Tejender S., Desiraju, Gautam R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971369/
https://www.ncbi.nlm.nih.gov/pubmed/21578279
http://dx.doi.org/10.1107/S1600536809038975
_version_ 1782190611299827712
author Kirchner, Michael T.
Bläser, Dieter
Boese, Roland
Thakur, Tejender S.
Desiraju, Gautam R.
author_facet Kirchner, Michael T.
Bläser, Dieter
Boese, Roland
Thakur, Tejender S.
Desiraju, Gautam R.
author_sort Kirchner, Michael T.
collection PubMed
description 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 inter­actions. The mol­ecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two anti­dromic 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 π–π stacking inter­actions with a centroid–centroid distance of 3.6362 (14) Å.
format Text
id pubmed-2971369
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29713692010-12-30 1,2,3-Trifluoro­benzene Kirchner, Michael T. Bläser, Dieter Boese, Roland Thakur, Tejender S. Desiraju, Gautam R. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 inter­actions. The mol­ecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two anti­dromic 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 π–π stacking inter­actions with a centroid–centroid distance of 3.6362 (14) Å. International Union of Crystallography 2009-10-07 /pmc/articles/PMC2971369/ /pubmed/21578279 http://dx.doi.org/10.1107/S1600536809038975 Text en © Kirchner et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kirchner, Michael T.
Bläser, Dieter
Boese, Roland
Thakur, Tejender S.
Desiraju, Gautam R.
1,2,3-Trifluoro­benzene
title 1,2,3-Trifluoro­benzene
title_full 1,2,3-Trifluoro­benzene
title_fullStr 1,2,3-Trifluoro­benzene
title_full_unstemmed 1,2,3-Trifluoro­benzene
title_short 1,2,3-Trifluoro­benzene
title_sort 1,2,3-trifluoro­benzene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971369/
https://www.ncbi.nlm.nih.gov/pubmed/21578279
http://dx.doi.org/10.1107/S1600536809038975
work_keys_str_mv AT kirchnermichaelt 123trifluorobenzene
AT blaserdieter 123trifluorobenzene
AT boeseroland 123trifluorobenzene
AT thakurtejenders 123trifluorobenzene
AT desirajugautamr 123trifluorobenzene