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3-(4-Bromophenyl)cyclopent-2-en-1-one
In the title compound, C(11)H(9)BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule i...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051020/ https://www.ncbi.nlm.nih.gov/pubmed/24940269 http://dx.doi.org/10.1107/S160053681401071X |
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author | Shurdha, Endrit Dees, Kelsey Miller, Hannah A. Iacono, Scott T. Balaich, Gary J. |
author_facet | Shurdha, Endrit Dees, Kelsey Miller, Hannah A. Iacono, Scott T. Balaich, Gary J. |
author_sort | Shurdha, Endrit |
collection | PubMed |
description | In the title compound, C(11)H(9)BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3 (1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of molecules that pack side-to-side with the same relative orientation of phenyl and cyclopentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face interactions exist between pairs of sheets with edge-to-edge and edge-to-face O⋯H—C(sp (2)) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77 Å) also exists between pairs of sheets. |
format | Online Article Text |
id | pubmed-4051020 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40510202014-06-17 3-(4-Bromophenyl)cyclopent-2-en-1-one Shurdha, Endrit Dees, Kelsey Miller, Hannah A. Iacono, Scott T. Balaich, Gary J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(9)BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3 (1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of molecules that pack side-to-side with the same relative orientation of phenyl and cyclopentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face interactions exist between pairs of sheets with edge-to-edge and edge-to-face O⋯H—C(sp (2)) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77 Å) also exists between pairs of sheets. International Union of Crystallography 2014-05-21 /pmc/articles/PMC4051020/ /pubmed/24940269 http://dx.doi.org/10.1107/S160053681401071X Text en © Shurdha et al. 2014 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 Shurdha, Endrit Dees, Kelsey Miller, Hannah A. Iacono, Scott T. Balaich, Gary J. 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title | 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title_full | 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title_fullStr | 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title_full_unstemmed | 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title_short | 3-(4-Bromophenyl)cyclopent-2-en-1-one |
title_sort | 3-(4-bromophenyl)cyclopent-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051020/ https://www.ncbi.nlm.nih.gov/pubmed/24940269 http://dx.doi.org/10.1107/S160053681401071X |
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