Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Ousidi, Abdellah N’ait, Itto, My Youssef Ait, Auhmani, Aziz, Riahi, Abdelkhalek, Daran, Jean-Claude, Abdelwahed, Auhmani
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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
_version_ 1782419533811679232
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
work_keys_str_mv AT ousidiabdellahnait crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone
AT ittomyyoussefait crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone
AT auhmaniaziz crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone
AT riahiabdelkhalek crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone
AT daranjeanclaude crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone
AT abdelwahedauhmani crystalstructureof23as6r336trimethyl33a4567hexahydro2hindazol2ylthiazol45hone