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Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one
The title compound, C(13)H(19)N(3)OS, is a new thiazolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thiosemicarbazone pulegone. It crystallized with two independent molecules (A and B) in the asymmetric unit. The compound is composed of a hexhydroindazo...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778833/ https://www.ncbi.nlm.nih.gov/pubmed/27006801 http://dx.doi.org/10.1107/S2056989016002498 |
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author | Ousidi, Abdellah N’ait Itto, My Youssef Ait Auhmani, Aziz Riahi, Abdelkhalek Daran, Jean-Claude Abdelwahed, Auhmani |
author_facet | Ousidi, Abdellah N’ait Itto, My Youssef Ait Auhmani, Aziz Riahi, Abdelkhalek Daran, Jean-Claude Abdelwahed, Auhmani |
author_sort | Ousidi, Abdellah N’ait |
collection | PubMed |
description | The title compound, C(13)H(19)N(3)OS, is a new thiazolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thiosemicarbazone pulegone. It crystallized with two independent molecules (A and B) in the asymmetric unit. The compound is composed of a hexhydroindazole ring system (viz. a five-membered dihydropyrazole ring fused to a cyclohexyl ring) with a thiazole-4-one ring system attached to one of the pyrazole N atoms (at position 2). The overall geometry of the two molecules differs slightly, with the mean planes of the pyrazole and thiazole rings being inclined to one another by 10.4 (1)° in molecule A and 0.9 (1)° in molecule B. In the crystal, the A and B molecules are linked via C—H⋯O hydrogen bonds, forming slabs parallel to the ab plane. There are C—H⋯π interactions present within the layers, and between the layers, so forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4778833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47788332016-03-22 Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one Ousidi, Abdellah N’ait Itto, My Youssef Ait Auhmani, Aziz Riahi, Abdelkhalek Daran, Jean-Claude Abdelwahed, Auhmani Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(13)H(19)N(3)OS, is a new thiazolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thiosemicarbazone pulegone. It crystallized with two independent molecules (A and B) in the asymmetric unit. The compound is composed of a hexhydroindazole ring system (viz. a five-membered dihydropyrazole ring fused to a cyclohexyl ring) with a thiazole-4-one ring system attached to one of the pyrazole N atoms (at position 2). The overall geometry of the two molecules differs slightly, with the mean planes of the pyrazole and thiazole rings being inclined to one another by 10.4 (1)° in molecule A and 0.9 (1)° in molecule B. In the crystal, the A and B molecules are linked via C—H⋯O hydrogen bonds, forming slabs parallel to the ab plane. There are C—H⋯π interactions present within the layers, and between the layers, so forming a three-dimensional structure. International Union of Crystallography 2016-02-17 /pmc/articles/PMC4778833/ /pubmed/27006801 http://dx.doi.org/10.1107/S2056989016002498 Text en © Ousidi et al. 2016 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 | Research Communications Ousidi, Abdellah N’ait Itto, My Youssef Ait Auhmani, Aziz Riahi, Abdelkhalek Daran, Jean-Claude Abdelwahed, Auhmani Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title | Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title_full | Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title_fullStr | Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title_full_unstemmed | Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title_short | Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one |
title_sort | crystal structure of 2-[(3as,6r)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2h-indazol-2-yl]thiazol-4(5h)-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778833/ https://www.ncbi.nlm.nih.gov/pubmed/27006801 http://dx.doi.org/10.1107/S2056989016002498 |
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