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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...

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Autores principales: Stenfors, Brock A., Staples, Richard J., Biros, Shannon M., Ngassa, Felix N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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.
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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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