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Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide
The synthesis of the title compound, C(13)H(21)NO(2)S, is reported here along with its crystal structure. This compound crystallizes with two molecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S—C bon...
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/PMC7336799/ https://www.ncbi.nlm.nih.gov/pubmed/32695444 http://dx.doi.org/10.1107/S2056989020007185 |
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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 synthesis of the title compound, C(13)H(21)NO(2)S, is reported here along with its crystal structure. This compound crystallizes with two molecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S—C bond lengths of 1.777 (3) and 1.773 (4) Å, and S—N bond lengths of 1.622 (3) and 1.624 (3) Å. When viewing the molecules down the S—N bond, the isopropyl groups are gauche to the aromatic ring. On each molecule, two methyl hydrogen atoms of one isopropyl group are engaged in intramolecular C—H⋯O hydrogen bonds with a nearby sulfonamide oxygen atom. Intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions link molecules of the title compound in the solid state. |
format | Online Article Text |
id | pubmed-7336799 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-73367992020-07-20 Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide Stenfors, Brock A. Staples, Richard J. Biros, Shannon M. Ngassa, Felix N. Acta Crystallogr E Crystallogr Commun Research Communications The synthesis of the title compound, C(13)H(21)NO(2)S, is reported here along with its crystal structure. This compound crystallizes with two molecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S—C bond lengths of 1.777 (3) and 1.773 (4) Å, and S—N bond lengths of 1.622 (3) and 1.624 (3) Å. When viewing the molecules down the S—N bond, the isopropyl groups are gauche to the aromatic ring. On each molecule, two methyl hydrogen atoms of one isopropyl group are engaged in intramolecular C—H⋯O hydrogen bonds with a nearby sulfonamide oxygen atom. Intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions link molecules of the title compound in the solid state. International Union of Crystallography 2020-06-05 /pmc/articles/PMC7336799/ /pubmed/32695444 http://dx.doi.org/10.1107/S2056989020007185 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 N,N-diisopropyl-4-methylbenzenesulfonamide |
title | Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide |
title_full | Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide |
title_fullStr | Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide |
title_full_unstemmed | Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide |
title_short | Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide |
title_sort | crystal structure of n,n-diisopropyl-4-methylbenzenesulfonamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336799/ https://www.ncbi.nlm.nih.gov/pubmed/32695444 http://dx.doi.org/10.1107/S2056989020007185 |
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