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3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one

In the title compound, C(11)H(11)NO(3)S(2), the S—Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S—CH(3) bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d–π inter­actions between the S atoms and the C=C bond. The 1,1-bis­(methyl­sulfan­yl)-3-oxo­propyl­ene fragment and the 4...

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Autores principales: Yu, Guan-Neng, Xia, Jian-Hui, Xu, Zhao-Hui, Wang, Li-Ben, Yu, Chu-Yi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772470/
https://www.ncbi.nlm.nih.gov/pubmed/24046613
http://dx.doi.org/10.1107/S1600536813014542
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author Yu, Guan-Neng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
author_facet Yu, Guan-Neng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
author_sort Yu, Guan-Neng
collection PubMed
description In the title compound, C(11)H(11)NO(3)S(2), the S—Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S—CH(3) bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d–π inter­actions between the S atoms and the C=C bond. The 1,1-bis­(methyl­sulfan­yl)-3-oxo­propyl­ene fragment and the 4-nitro­phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Mol­ecules in the crystal are linked into a three-dimensional network by C—H⋯S and C—H⋯O hydrogen bonds.
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spelling pubmed-37724702013-09-17 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one Yu, Guan-Neng Xia, Jian-Hui Xu, Zhao-Hui Wang, Li-Ben Yu, Chu-Yi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(11)NO(3)S(2), the S—Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S—CH(3) bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d–π inter­actions between the S atoms and the C=C bond. The 1,1-bis­(methyl­sulfan­yl)-3-oxo­propyl­ene fragment and the 4-nitro­phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Mol­ecules in the crystal are linked into a three-dimensional network by C—H⋯S and C—H⋯O hydrogen bonds. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772470/ /pubmed/24046613 http://dx.doi.org/10.1107/S1600536813014542 Text en © Yu et al. 2013 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
Yu, Guan-Neng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title_full 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title_fullStr 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title_full_unstemmed 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title_short 3,3-Bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
title_sort 3,3-bis(methyl­sulfan­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772470/
https://www.ncbi.nlm.nih.gov/pubmed/24046613
http://dx.doi.org/10.1107/S1600536813014542
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