Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol

The title crystal structure is assembled from the superposition of two mol­ecular structures, (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one, C(12)H(9)ClOS(2) (93%), and (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol, C(12)H(11)ClOS(2) (7%), 0.9...

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Autores principales: Al-Refai, Mahmoud, Ali, Basem F., Geyer, Armin, Harms, Klaus, Marsch, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133035/
https://www.ncbi.nlm.nih.gov/pubmed/32280487
http://dx.doi.org/10.1107/S2056989020002583
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author Al-Refai, Mahmoud
Ali, Basem F.
Geyer, Armin
Harms, Klaus
Marsch, Michael
author_facet Al-Refai, Mahmoud
Ali, Basem F.
Geyer, Armin
Harms, Klaus
Marsch, Michael
author_sort Al-Refai, Mahmoud
collection PubMed
description The title crystal structure is assembled from the superposition of two mol­ecular structures, (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one, C(12)H(9)ClOS(2) (93%), and (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol, C(12)H(11)ClOS(2) (7%), 0.93C(12)H(9)ClOS(2)·0.07C(12)H(11)ClOS(2). Both were obtained from the reaction of 3-methyl­thio­phene-2-carbaldehyde and 1-(5-chloro­thio­phen-2-yl)ethanone. In the extended structure of the major chalcone component, mol­ecules are linked by a combination of C—H⋯O/S, Cl⋯Cl, Cl⋯π and π–π inter­actions, leading to a compact three-dimensional supra­molecular assembly.
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spelling pubmed-71330352020-04-10 Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol Al-Refai, Mahmoud Ali, Basem F. Geyer, Armin Harms, Klaus Marsch, Michael Acta Crystallogr E Crystallogr Commun Research Communications The title crystal structure is assembled from the superposition of two mol­ecular structures, (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one, C(12)H(9)ClOS(2) (93%), and (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol, C(12)H(11)ClOS(2) (7%), 0.93C(12)H(9)ClOS(2)·0.07C(12)H(11)ClOS(2). Both were obtained from the reaction of 3-methyl­thio­phene-2-carbaldehyde and 1-(5-chloro­thio­phen-2-yl)ethanone. In the extended structure of the major chalcone component, mol­ecules are linked by a combination of C—H⋯O/S, Cl⋯Cl, Cl⋯π and π–π inter­actions, leading to a compact three-dimensional supra­molecular assembly. International Union of Crystallography 2020-03-03 /pmc/articles/PMC7133035/ /pubmed/32280487 http://dx.doi.org/10.1107/S2056989020002583 Text en © Al-Refai et al. 2020 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Al-Refai, Mahmoud
Ali, Basem F.
Geyer, Armin
Harms, Klaus
Marsch, Michael
Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title_full Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title_fullStr Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title_full_unstemmed Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title_short Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
title_sort unexpected formation of a co-crystal containing the chalcone (e)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133035/
https://www.ncbi.nlm.nih.gov/pubmed/32280487
http://dx.doi.org/10.1107/S2056989020002583
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AT alibasemf unexpectedformationofacocrystalcontainingthechalconee15chlorothiophen2yl33methylthiophen2ylprop2en1oneandtheketoenoltautomerz15chlorothiophen2yl33methylthiophen2ylprop1en1ol
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