Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine
The molecular structure of the title compound, C11H15NO2S, 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 rin...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698902000208X |
| _version_ | 1819107363134636032 |
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| author | Brock A. Stenfors Richard J. Staples Shannon M. Biros Felix N. Ngassa |
| author_facet | Brock A. Stenfors Richard J. Staples Shannon M. Biros Felix N. Ngassa |
| author_sort | Brock A. Stenfors |
| collection | DOAJ |
| description | The molecular structure of the title compound, C11H15NO2S, 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. |
| first_indexed | 2024-12-22T02:52:50Z |
| format | Article |
| id | doaj.art-182d7eb4918842b781890dc9832b76de |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-22T02:52:50Z |
| publishDate | 2020-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-182d7eb4918842b781890dc9832b76de2022-12-21T18:41:20ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-03-0176345245510.1107/S205698902000208Xwm5540Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidineBrock A. Stenfors0Richard J. Staples1Shannon M. Biros2Felix N. Ngassa3Department of Chemistry, 1 Campus Dr., Grand Valley State University, Allendale, MI 49401, USACenter for Crystallographic Research, Michigan State University, Department of Chemistry and Chemical Biology, East Lansing, MI 48824, USADepartment of Chemistry, 1 Campus Dr., Grand Valley State University, Allendale, MI 49401, USADepartment of Chemistry, 1 Campus Dr., Grand Valley State University, Allendale, MI 49401, USAThe molecular structure of the title compound, C11H15NO2S, 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.http://scripts.iucr.org/cgi-bin/paper?S205698902000208Xcrystal structuresulfonamideπ–π interactionc—h...o hydrogen bondsc—h...π interactionspolymorphism |
| spellingShingle | Brock A. Stenfors Richard J. Staples Shannon M. Biros Felix N. Ngassa Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine Acta Crystallographica Section E: Crystallographic Communications crystal structure sulfonamide π–π interaction c—h...o hydrogen bonds c—h...π interactions polymorphism |
| 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 | crystal structure sulfonamide π–π interaction c—h...o hydrogen bonds c—h...π interactions polymorphism |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698902000208X |
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