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(E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
There are two crystallograpically independent molecules in the asymmetric unit of the title heteroaryl chalcone derivative, C(16)H(16)O(4)S, with slightly different conformations. The thienyl ring of one molecule is disordered over two positions, with a refined site-occupancy ratio of 0.713 (5):0....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247464/ https://www.ncbi.nlm.nih.gov/pubmed/22220082 http://dx.doi.org/10.1107/S1600536811042930 |
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author | Fun, Hoong-Kun Suwunwong, Thitipone Anantapong, Teerasak Karalai, Chatchanok Chantrapromma, Suchada |
author_facet | Fun, Hoong-Kun Suwunwong, Thitipone Anantapong, Teerasak Karalai, Chatchanok Chantrapromma, Suchada |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | There are two crystallograpically independent molecules in the asymmetric unit of the title heteroaryl chalcone derivative, C(16)H(16)O(4)S, with slightly different conformations. The thienyl ring of one molecule is disordered over two positions, with a refined site-occupancy ratio of 0.713 (5):0.287 (5). The molecules are twisted: the dihedral angle between the thienyl and benzene rings is 9.72 (19)° in the ordered molecule, and 3.8 (4) and 2.1 (8)° for the major and minor components, respectively, in the disordered molecule. In both molecules, all three substituted methoxy groups are coplanar with the benzene ring to which they are attached. In each molecule, a weak intramolecular C—H⋯O interaction generates an S(6) ring motif. In the crystal structure, adjacent molecules are linked into a three-dimensional network by weak C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-3247464 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474642012-01-04 (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one Fun, Hoong-Kun Suwunwong, Thitipone Anantapong, Teerasak Karalai, Chatchanok Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two crystallograpically independent molecules in the asymmetric unit of the title heteroaryl chalcone derivative, C(16)H(16)O(4)S, with slightly different conformations. The thienyl ring of one molecule is disordered over two positions, with a refined site-occupancy ratio of 0.713 (5):0.287 (5). The molecules are twisted: the dihedral angle between the thienyl and benzene rings is 9.72 (19)° in the ordered molecule, and 3.8 (4) and 2.1 (8)° for the major and minor components, respectively, in the disordered molecule. In both molecules, all three substituted methoxy groups are coplanar with the benzene ring to which they are attached. In each molecule, a weak intramolecular C—H⋯O interaction generates an S(6) ring motif. In the crystal structure, adjacent molecules are linked into a three-dimensional network by weak C—H⋯O interactions. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247464/ /pubmed/22220082 http://dx.doi.org/10.1107/S1600536811042930 Text en © Fun et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Fun, Hoong-Kun Suwunwong, Thitipone Anantapong, Teerasak Karalai, Chatchanok Chantrapromma, Suchada (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title | (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title_full | (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title_fullStr | (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title_full_unstemmed | (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title_short | (E)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
title_sort | (e)-1-(thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247464/ https://www.ncbi.nlm.nih.gov/pubmed/22220082 http://dx.doi.org/10.1107/S1600536811042930 |
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