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

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, C12H9ClOS2 (93%), and (Z)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol, C12H11ClOS2 (7%), 0.93C12H9ClOS2·0.07C12H1...

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Main Authors: Mahmoud Al-Refai, Basem F. Ali, Armin Geyer, Klaus Harms, Michael Marsch
Format: Article
Language:English
Published: International Union of Crystallography 2020-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
chalcones
thiophene
superposition molecular structures
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020002583
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spelling doaj-af7187d6aff3495d841f5f69f6cb21ce2020-11-25T02:02:25ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-04-0176447748010.1107/S2056989020002583hb7894Unexpected 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-olMahmoud Al-Refai0Basem F. Ali1Armin Geyer2Klaus Harms3Michael Marsch4Department of Chemistry, Al al-Bayt University, Mafraq 25113, JordanDepartment of Chemistry, Al al-Bayt University, Mafraq 25113, JordanFaculty of Chemistry, Philipps University Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, GermanyFaculty of Chemistry, Philipps University Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, GermanyFaculty of Chemistry, Philipps University Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, GermanyThe 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, C12H9ClOS2 (93%), and (Z)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol, C12H11ClOS2 (7%), 0.93C12H9ClOS2·0.07C12H11ClOS2. 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.http://scripts.iucr.org/cgi-bin/paper?S2056989020002583crystal structurechalconesthiophenesuperposition molecular structures
collection DOAJ
language English
format Article
sources DOAJ
author Mahmoud Al-Refai
Basem F. Ali
Armin Geyer
Klaus Harms
Michael Marsch
spellingShingle Mahmoud Al-Refai
Basem F. Ali
Armin Geyer
Klaus Harms
Michael Marsch
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
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
chalcones
thiophene
superposition molecular structures
author_facet Mahmoud Al-Refai
Basem F. Ali
Armin Geyer
Klaus Harms
Michael Marsch
author_sort Mahmoud Al-Refai
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_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_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_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
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2020-04-01
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, C12H9ClOS2 (93%), and (Z)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol, C12H11ClOS2 (7%), 0.93C12H9ClOS2·0.07C12H11ClOS2. 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.
topic crystal structure
chalcones
thiophene
superposition molecular structures
url http://scripts.iucr.org/cgi-bin/paper?S2056989020002583
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AT basemfali unexpectedformationofacocrystalcontainingthechalconee15chlorothiophen2yl33methylthiophen2ylprop2en1oneandtheketoenoltautomerz15chlorothiophen2yl33methylthiophen2ylprop1en1ol
AT armingeyer unexpectedformationofacocrystalcontainingthechalconee15chlorothiophen2yl33methylthiophen2ylprop2en1oneandtheketoenoltautomerz15chlorothiophen2yl33methylthiophen2ylprop1en1ol
AT klausharms unexpectedformationofacocrystalcontainingthechalconee15chlorothiophen2yl33methylthiophen2ylprop2en1oneandtheketoenoltautomerz15chlorothiophen2yl33methylthiophen2ylprop1en1ol
AT michaelmarsch unexpectedformationofacocrystalcontainingthechalconee15chlorothiophen2yl33methylthiophen2ylprop2en1oneandtheketoenoltautomerz15chlorothiophen2yl33methylthiophen2ylprop1en1ol
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