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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...

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Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Patil, P. S., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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.
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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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