Cargando…

(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....

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Suwunwong, Thitipone, Anantapong, Teerasak, Karalai, Chatchanok, Chantrapromma, Suchada
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
_version_ 1782220113169088512
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
work_keys_str_mv AT funhoongkun e1thiophen2yl3246trimethoxyphenylprop2en1one
AT suwunwongthitipone e1thiophen2yl3246trimethoxyphenylprop2en1one
AT anantapongteerasak e1thiophen2yl3246trimethoxyphenylprop2en1one
AT karalaichatchanok e1thiophen2yl3246trimethoxyphenylprop2en1one
AT chantraprommasuchada e1thiophen2yl3246trimethoxyphenylprop2en1one