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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...

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Autores principales: Naik, Vasant S., Shettigar, Venkataraya, Berglin, Tyler S., Coburn, Jillian S., Jasinski, Jerry P., Yathirajan, Hemmige S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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