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2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate
In the title compound, C(16)H(18)FN(3)O(2)S(2), the methylpiperazine ring adopts a chair conformation, while the (2,3-dioxoindolin-1-yl)ethyl unit is linked to one of the N atoms of the piperazine ring via the carbodithioate group. In the crystal, each molecule is linked to its neighbors within t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254445/ https://www.ncbi.nlm.nih.gov/pubmed/22259593 http://dx.doi.org/10.1107/S1600536811052494 |
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author | Wang, Yao Lin, Hui-Hui Cao, Sheng-Li |
author_facet | Wang, Yao Lin, Hui-Hui Cao, Sheng-Li |
author_sort | Wang, Yao |
collection | PubMed |
description | In the title compound, C(16)H(18)FN(3)O(2)S(2), the methylpiperazine ring adopts a chair conformation, while the (2,3-dioxoindolin-1-yl)ethyl unit is linked to one of the N atoms of the piperazine ring via the carbodithioate group. In the crystal, each molecule is linked to its neighbors within the ([Image: see text]03) plane through weak C—H(methylene)⋯O, C—H(aryl)⋯O and C—H(methylene)⋯S interactions. Perpendicular to this plane molecules are connected through intermolecular short N⋯π(pyrrole ring) contacts [N⋯C centroid = 3.232 (2) Å], another set of C—H(methylene)⋯O interactions and through short contacts between carbodithioate S atoms and the pyrrole rings [C⋯centroid = 3.695 (3), S⋯centroid = 3.403 (2) Å]. |
format | Online Article Text |
id | pubmed-3254445 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32544452012-01-18 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate Wang, Yao Lin, Hui-Hui Cao, Sheng-Li Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)FN(3)O(2)S(2), the methylpiperazine ring adopts a chair conformation, while the (2,3-dioxoindolin-1-yl)ethyl unit is linked to one of the N atoms of the piperazine ring via the carbodithioate group. In the crystal, each molecule is linked to its neighbors within the ([Image: see text]03) plane through weak C—H(methylene)⋯O, C—H(aryl)⋯O and C—H(methylene)⋯S interactions. Perpendicular to this plane molecules are connected through intermolecular short N⋯π(pyrrole ring) contacts [N⋯C centroid = 3.232 (2) Å], another set of C—H(methylene)⋯O interactions and through short contacts between carbodithioate S atoms and the pyrrole rings [C⋯centroid = 3.695 (3), S⋯centroid = 3.403 (2) Å]. International Union of Crystallography 2011-12-10 /pmc/articles/PMC3254445/ /pubmed/22259593 http://dx.doi.org/10.1107/S1600536811052494 Text en © Wang 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 Wang, Yao Lin, Hui-Hui Cao, Sheng-Li 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title | 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title_full | 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title_fullStr | 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title_full_unstemmed | 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title_short | 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
title_sort | 2-(5-fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254445/ https://www.ncbi.nlm.nih.gov/pubmed/22259593 http://dx.doi.org/10.1107/S1600536811052494 |
work_keys_str_mv | AT wangyao 25fluoro23dioxoindolin1ylethyl4methylpiperazine1carbodithioate AT linhuihui 25fluoro23dioxoindolin1ylethyl4methylpiperazine1carbodithioate AT caoshengli 25fluoro23dioxoindolin1ylethyl4methylpiperazine1carbodithioate |