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Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
In the molecules of the title compounds, (2E)-1-(3-bromo-thiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one, C(14)H(11)BrO(2)S, (I), which crystallizes in the space group P-1 with four independent molecules in the asymmetric unit (Z′ = 8), and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxy...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571368/ https://www.ncbi.nlm.nih.gov/pubmed/26396767 http://dx.doi.org/10.1107/S2056989015013420 |
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author | Naik, Vasant S. Shettigar, Venkataraya Berglin, Tyler S. Coburn, Jillian S. Jasinski, Jerry P. Yathirajan, Hemmige S. |
author_facet | Naik, Vasant S. Shettigar, Venkataraya Berglin, Tyler S. Coburn, Jillian S. Jasinski, Jerry P. Yathirajan, Hemmige S. |
author_sort | Naik, Vasant S. |
collection | PubMed |
description | In the molecules of the title compounds, (2E)-1-(3-bromo-thiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one, C(14)H(11)BrO(2)S, (I), which crystallizes in the space group P-1 with four independent molecules in the asymmetric unit (Z′ = 8), and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, C(15)H(13)BrO(3)S, (II), which crystallizes with Z′ = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The molecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C—H⋯Br intramolecular interactions in each of the four molecules in the asymmetric unit are observed. In (II), weak C—H⋯O, bifurcated three-center intermolecular interactions forming dimers along with weak C—H⋯π and π–π stacking interactions are observed, linking the molecules into sheets along [001]. A weak C—H⋯Br intramolecular interaction is also present. There are no classical hydrogen bonds present in either structure. |
format | Online Article Text |
id | pubmed-4571368 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713682015-09-22 Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Naik, Vasant S. Shettigar, Venkataraya Berglin, Tyler S. Coburn, Jillian S. Jasinski, Jerry P. Yathirajan, Hemmige S. Acta Crystallogr E Crystallogr Commun Research Communications In the molecules of the title compounds, (2E)-1-(3-bromo-thiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one, C(14)H(11)BrO(2)S, (I), which crystallizes in the space group P-1 with four independent molecules in the asymmetric unit (Z′ = 8), and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, C(15)H(13)BrO(3)S, (II), which crystallizes with Z′ = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The molecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C—H⋯Br intramolecular interactions in each of the four molecules in the asymmetric unit are observed. In (II), weak C—H⋯O, bifurcated three-center intermolecular interactions forming dimers along with weak C—H⋯π and π–π stacking interactions are observed, linking the molecules into sheets along [001]. A weak C—H⋯Br intramolecular interaction is also present. There are no classical hydrogen bonds present in either structure. International Union of Crystallography 2015-07-25 /pmc/articles/PMC4571368/ /pubmed/26396767 http://dx.doi.org/10.1107/S2056989015013420 Text en © Naik et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Naik, Vasant S. Shettigar, Venkataraya Berglin, Tyler S. Coburn, Jillian S. Jasinski, Jerry P. Yathirajan, Hemmige S. Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title | Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title_full | Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title_fullStr | Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title_full_unstemmed | Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title_short | Crystal structures of (2E)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2E)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
title_sort | crystal structures of (2e)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2e)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571368/ https://www.ncbi.nlm.nih.gov/pubmed/26396767 http://dx.doi.org/10.1107/S2056989015013420 |
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