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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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 |
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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 |