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

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 03 Mar 2020Publisher:International Union of Crystallography (IUCr)Journal:Acta Crystallographica Section E Crystallographic Communications, volume 76, pages 477-480 (eissn: 2056-9890,

Copyright policy )

Authors: Mahmoud Al-Refai; Basem F. Ali; Armin Geyer; Klaus Harms; Michael Marsch;

doi: 10.1107/s2056989020002583

pmid: 32280487

pmc: PMC7133035

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

- Summary
- Subjects
- Related research
  (8)
- Metrics

Abstract

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.

Related Organizations

Keywords

crystal structure, superposition molecular structures, thiophene, Crystallography, chalcones, QD901-999, Research Communications

8 Research products, page 1 of 1

Synthesis and spectroscopic studies of substituted 5,6,7,8-tetrahydroquinazolin-2-amine compounds via one-pot method
2018IsAmongTopNSimilarDocuments
5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)- 1,2-isoxazoline as a Useful Rice Herbicide
2005IsAmongTopNSimilarDocuments
Electrosynthesis and characterization of an electrochromic material from poly(1,4-bis(3-methylthiophen-2-yl)benzene) and its application in electrochromic device
2012IsAmongTopNSimilarDocuments
Synthesis, spectral and X-ray crystal structure of 3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT calculations and thermo-optical studies
2018IsAmongTopNSimilarDocuments
Synthesis, spectral characterization and X-ray crystal structure studies of 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT and thermal analysis
2018IsAmongTopNSimilarDocuments
A nickel(II) thiosemicarbazonato complex: synthesis, structure, electrochemistry, and application in catalytic coupling of terminal alkynes with arylboronic acids
2017IsAmongTopNSimilarDocuments
Synthesis, Anticonvulsant and Antinociceptive Activity of New Hybrid Compounds: Derivatives of 3-(3-Methylthiophen-2-yl)-pyrrolidine-2,5-dione
2020IsAmongTopNSimilarDocuments
Design and synthesis of novel thiophenecarbohydrazide, thienopyrazole and thienopyrimidine derivatives as antioxidant and antitumor agents
2010IsAmongTopNSimilarDocuments

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	3
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average