Cargando…

(E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one

In the title compound, C(11)H(15)NOS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thio­phene ring. In the crystal, mol­ecules are linked by pairs of C—H⋯O...

Descripción completa

Detalles Bibliográficos
Autores principales: Ghorab, Mostafa M., Al-Said, Mansour S., Ghabbour, Hazem A., Chia, Tze Shyang, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379305/
https://www.ncbi.nlm.nih.gov/pubmed/22719503
http://dx.doi.org/10.1107/S1600536812021022
_version_ 1782236169424076800
author Ghorab, Mostafa M.
Al-Said, Mansour S.
Ghabbour, Hazem A.
Chia, Tze Shyang
Fun, Hoong-Kun
author_facet Ghorab, Mostafa M.
Al-Said, Mansour S.
Ghabbour, Hazem A.
Chia, Tze Shyang
Fun, Hoong-Kun
author_sort Ghorab, Mostafa M.
collection PubMed
description In the title compound, C(11)H(15)NOS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thio­phene ring. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds into inversion dimers with R (2) (2)(14) ring motifs. The dimers are stacked along the c axis through C—H⋯π inter­actions. The two methyl groups, attached to the thio­phene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively.
format Online
Article
Text
id pubmed-3379305
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33793052012-06-20 (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one Ghorab, Mostafa M. Al-Said, Mansour S. Ghabbour, Hazem A. Chia, Tze Shyang Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(15)NOS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thio­phene ring. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds into inversion dimers with R (2) (2)(14) ring motifs. The dimers are stacked along the c axis through C—H⋯π inter­actions. The two methyl groups, attached to the thio­phene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively. International Union of Crystallography 2012-05-12 /pmc/articles/PMC3379305/ /pubmed/22719503 http://dx.doi.org/10.1107/S1600536812021022 Text en © Ghorab et al. 2012 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
Ghorab, Mostafa M.
Al-Said, Mansour S.
Ghabbour, Hazem A.
Chia, Tze Shyang
Fun, Hoong-Kun
(E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title_full (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title_fullStr (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title_full_unstemmed (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title_short (E)-3-Dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
title_sort (e)-3-dimethyl­amino-1-(2,5-dimethyl­thio­phen-3-yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379305/
https://www.ncbi.nlm.nih.gov/pubmed/22719503
http://dx.doi.org/10.1107/S1600536812021022
work_keys_str_mv AT ghorabmostafam e3dimethylamino125dimethylthiophen3ylprop2en1one
AT alsaidmansours e3dimethylamino125dimethylthiophen3ylprop2en1one
AT ghabbourhazema e3dimethylamino125dimethylthiophen3ylprop2en1one
AT chiatzeshyang e3dimethylamino125dimethylthiophen3ylprop2en1one
AT funhoongkun e3dimethylamino125dimethylthiophen3ylprop2en1one