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Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine
The molecular structure of the title compound, C(11)H(15)NO(2)S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrroli...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057365/ https://www.ncbi.nlm.nih.gov/pubmed/32148893 http://dx.doi.org/10.1107/S205698902000208X |
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author | Stenfors, Brock A. Staples, Richard J. Biros, Shannon M. Ngassa, Felix N. |
author_facet | Stenfors, Brock A. Staples, Richard J. Biros, Shannon M. Ngassa, Felix N. |
author_sort | Stenfors, Brock A. |
collection | PubMed |
description | The molecular structure of the title compound, C(11)H(15)NO(2)S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and intermolecular C—H⋯O hydrogen bonds, as well as intermolecular C—H⋯π and π–π interactions, leading to the formation of sheets parallel to the ac plane. |
format | Online Article Text |
id | pubmed-7057365 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-70573652020-03-06 Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine Stenfors, Brock A. Staples, Richard J. Biros, Shannon M. Ngassa, Felix N. Acta Crystallogr E Crystallogr Commun Research Communications The molecular structure of the title compound, C(11)H(15)NO(2)S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and intermolecular C—H⋯O hydrogen bonds, as well as intermolecular C—H⋯π and π–π interactions, leading to the formation of sheets parallel to the ac plane. International Union of Crystallography 2020-02-28 /pmc/articles/PMC7057365/ /pubmed/32148893 http://dx.doi.org/10.1107/S205698902000208X Text en © Stenfors et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Stenfors, Brock A. Staples, Richard J. Biros, Shannon M. Ngassa, Felix N. Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title | Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title_full | Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title_fullStr | Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title_full_unstemmed | Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title_short | Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
title_sort | crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057365/ https://www.ncbi.nlm.nih.gov/pubmed/32148893 http://dx.doi.org/10.1107/S205698902000208X |
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