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6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide
The racemic mixture of the title compound, C(19)H(19)NO(3)S, crystallizes in space group P [Image: see text] with two homochiral molecules in each asymmetric unit. The seven-membered ring in both molecules is in a pucker-chair conformation. The extended structure exhibits C—H⋯O hydrogen bonds, of...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626852/ https://www.ncbi.nlm.nih.gov/pubmed/37936592 http://dx.doi.org/10.1107/S2414314623009379 |
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author | Yennawar, Hemant P. Russell, Michael W. Silverberg, Lee J. |
author_facet | Yennawar, Hemant P. Russell, Michael W. Silverberg, Lee J. |
author_sort | Yennawar, Hemant P. |
collection | PubMed |
description | The racemic mixture of the title compound, C(19)H(19)NO(3)S, crystallizes in space group P [Image: see text] with two homochiral molecules in each asymmetric unit. The seven-membered ring in both molecules is in a pucker-chair conformation. The extended structure exhibits C—H⋯O hydrogen bonds, of which two connect crystallographically independent molecules to generate a chain propagating along the b-axis direction. One C—H grouping of the cyclopropyl ring is in close contact with the phenyl ring of the neighboring independent molecule in C—H⋯π type interactions with carbon atom–ring-centroid distances of 3.544 (5) and 3.596 (4) Å. Other interactions are of the parallel–reciprocal type, with the chiral carbon atom of one molecule donating a proton to an oxygen atom of the sulfone group of a symmetry-related molecule and vice-versa. Symmetry-related molecular pairs also exhibit T-type interactions between aromatic rings with interplanar angles of 74.2 (2) and 69.2 (2)° and intercentroid distances of 4.965 (4) and 5.114 (4) Å. [Image: see text] |
format | Online Article Text |
id | pubmed-10626852 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-106268522023-11-07 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide Yennawar, Hemant P. Russell, Michael W. Silverberg, Lee J. IUCrdata Data Reports The racemic mixture of the title compound, C(19)H(19)NO(3)S, crystallizes in space group P [Image: see text] with two homochiral molecules in each asymmetric unit. The seven-membered ring in both molecules is in a pucker-chair conformation. The extended structure exhibits C—H⋯O hydrogen bonds, of which two connect crystallographically independent molecules to generate a chain propagating along the b-axis direction. One C—H grouping of the cyclopropyl ring is in close contact with the phenyl ring of the neighboring independent molecule in C—H⋯π type interactions with carbon atom–ring-centroid distances of 3.544 (5) and 3.596 (4) Å. Other interactions are of the parallel–reciprocal type, with the chiral carbon atom of one molecule donating a proton to an oxygen atom of the sulfone group of a symmetry-related molecule and vice-versa. Symmetry-related molecular pairs also exhibit T-type interactions between aromatic rings with interplanar angles of 74.2 (2) and 69.2 (2)° and intercentroid distances of 4.965 (4) and 5.114 (4) Å. [Image: see text] International Union of Crystallography 2023-10-31 /pmc/articles/PMC10626852/ /pubmed/37936592 http://dx.doi.org/10.1107/S2414314623009379 Text en © Yennawar et al. 2023 https://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. |
spellingShingle | Data Reports Yennawar, Hemant P. Russell, Michael W. Silverberg, Lee J. 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title | 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title_full | 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title_fullStr | 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title_full_unstemmed | 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title_short | 6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
title_sort | 6,7-diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626852/ https://www.ncbi.nlm.nih.gov/pubmed/37936592 http://dx.doi.org/10.1107/S2414314623009379 |
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