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(E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
In the title molecule, C(16)H(16)O(4)S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ra...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962137/ https://www.ncbi.nlm.nih.gov/pubmed/21203219 http://dx.doi.org/10.1107/S1600536808021375 |
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author | Fun, Hoong-Kun Jebas, Samuel Robinson Patil, P. S. Dharmaprakash, S. M. |
author_facet | Fun, Hoong-Kun Jebas, Samuel Robinson Patil, P. S. Dharmaprakash, S. M. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title molecule, C(16)H(16)O(4)S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thiophene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intramolecular C—H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen-bonding interactions. In addition, a π–π stacking interaction, with a centroid–centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed. |
format | Text |
id | pubmed-2962137 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29621372010-12-30 (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one Fun, Hoong-Kun Jebas, Samuel Robinson Patil, P. S. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(16)H(16)O(4)S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thiophene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intramolecular C—H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen-bonding interactions. In addition, a π–π stacking interaction, with a centroid–centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed. International Union of Crystallography 2008-07-16 /pmc/articles/PMC2962137/ /pubmed/21203219 http://dx.doi.org/10.1107/S1600536808021375 Text en © Fun et al. 2008 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 Jebas, Samuel Robinson Patil, P. S. Dharmaprakash, S. M. (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title | (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title_full | (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title_fullStr | (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title_full_unstemmed | (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title_short | (E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
title_sort | (e)-1-(2-thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962137/ https://www.ncbi.nlm.nih.gov/pubmed/21203219 http://dx.doi.org/10.1107/S1600536808021375 |
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