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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3772470 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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