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5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide
In the title compound, C(24)H(24)FN(3)O(2)S, the 1,3-thiazolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. T...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793733/ https://www.ncbi.nlm.nih.gov/pubmed/24109320 http://dx.doi.org/10.1107/S1600536813018576 |
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author | Çelikesir, Sevim Türktekin Akkurt, Mehmet Üstündağ, Gökçe Cihan Büyükgüngör, Orhan |
author_facet | Çelikesir, Sevim Türktekin Akkurt, Mehmet Üstündağ, Gökçe Cihan Büyükgüngör, Orhan |
author_sort | Çelikesir, Sevim Türktekin |
collection | PubMed |
description | In the title compound, C(24)H(24)FN(3)O(2)S, the 1,3-thiazolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57 Å(3), but the residual electron density (highest peak = 0.23 e Å(−3) and deepest hole = −0.19 e Å(−3)) in the difference Fourier map suggests no solvent molecule occupies this void. |
format | Online Article Text |
id | pubmed-3793733 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37937332013-10-09 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide Çelikesir, Sevim Türktekin Akkurt, Mehmet Üstündağ, Gökçe Cihan Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(24)H(24)FN(3)O(2)S, the 1,3-thiazolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclohexane ring is in a chair conformation. In the crystal, molecules are linked by N—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57 Å(3), but the residual electron density (highest peak = 0.23 e Å(−3) and deepest hole = −0.19 e Å(−3)) in the difference Fourier map suggests no solvent molecule occupies this void. International Union of Crystallography 2013-07-10 /pmc/articles/PMC3793733/ /pubmed/24109320 http://dx.doi.org/10.1107/S1600536813018576 Text en © Çelikesir et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Çelikesir, Sevim Türktekin Akkurt, Mehmet Üstündağ, Gökçe Cihan Büyükgüngör, Orhan 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title | 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title_full | 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title_fullStr | 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title_full_unstemmed | 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title_short | 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide |
title_sort | 5-fluoro-n-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1h-indole-2-carboxamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793733/ https://www.ncbi.nlm.nih.gov/pubmed/24109320 http://dx.doi.org/10.1107/S1600536813018576 |
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