Cargando…
5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione
The molecule of the title compound, C(24)H(32)N(4)OS, is a functionalized 1,3,4-oxadiazole-2-thione with substituted piperazine and adamantanyl substituents attached at the 3- and 5-positions, respectively, of the oxadiazole spacer with an approximately C-shaped conformation. In the crystal, molec...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393978/ https://www.ncbi.nlm.nih.gov/pubmed/22798843 http://dx.doi.org/10.1107/S1600536812027249 |
_version_ | 1782237795473948672 |
---|---|
author | El-Emam, Ali A. El-Brollosy, Nasser R. Attia, Mohamed I. Said-Abdelbaky, Mohammed García-Granda, Santiago |
author_facet | El-Emam, Ali A. El-Brollosy, Nasser R. Attia, Mohamed I. Said-Abdelbaky, Mohammed García-Granda, Santiago |
author_sort | El-Emam, Ali A. |
collection | PubMed |
description | The molecule of the title compound, C(24)H(32)N(4)OS, is a functionalized 1,3,4-oxadiazole-2-thione with substituted piperazine and adamantanyl substituents attached at the 3- and 5-positions, respectively, of the oxadiazole spacer with an approximately C-shaped conformation. In the crystal, molecules form dimers via C—H⋯S interaction. The piperazine ring has a chair conformation; the substituents S, methylene C and adamantane C of the essentially planar oxadiazole ring are approximately in the same plane, with distances of −0.046 (2), −0.085 (5) and 0.003 (4) Å, respectively. The dihedral angle between the planes of the phenyl and oxadiazole rings is 31.3 (3)°. |
format | Online Article Text |
id | pubmed-3393978 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939782012-07-13 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione El-Emam, Ali A. El-Brollosy, Nasser R. Attia, Mohamed I. Said-Abdelbaky, Mohammed García-Granda, Santiago Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound, C(24)H(32)N(4)OS, is a functionalized 1,3,4-oxadiazole-2-thione with substituted piperazine and adamantanyl substituents attached at the 3- and 5-positions, respectively, of the oxadiazole spacer with an approximately C-shaped conformation. In the crystal, molecules form dimers via C—H⋯S interaction. The piperazine ring has a chair conformation; the substituents S, methylene C and adamantane C of the essentially planar oxadiazole ring are approximately in the same plane, with distances of −0.046 (2), −0.085 (5) and 0.003 (4) Å, respectively. The dihedral angle between the planes of the phenyl and oxadiazole rings is 31.3 (3)°. International Union of Crystallography 2012-06-23 /pmc/articles/PMC3393978/ /pubmed/22798843 http://dx.doi.org/10.1107/S1600536812027249 Text en © El-Emam et al. 2012 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 El-Emam, Ali A. El-Brollosy, Nasser R. Attia, Mohamed I. Said-Abdelbaky, Mohammed García-Granda, Santiago 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title | 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title_full | 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title_fullStr | 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title_full_unstemmed | 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title_short | 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione |
title_sort | 5-(adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3h)-thione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393978/ https://www.ncbi.nlm.nih.gov/pubmed/22798843 http://dx.doi.org/10.1107/S1600536812027249 |
work_keys_str_mv | AT elemamalia 5adamantan1yl34benzylpiperazin1ylmethyl134oxadiazole23hthione AT elbrollosynasserr 5adamantan1yl34benzylpiperazin1ylmethyl134oxadiazole23hthione AT attiamohamedi 5adamantan1yl34benzylpiperazin1ylmethyl134oxadiazole23hthione AT saidabdelbakymohammed 5adamantan1yl34benzylpiperazin1ylmethyl134oxadiazole23hthione AT garciagrandasantiago 5adamantan1yl34benzylpiperazin1ylmethyl134oxadiazole23hthione |