Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate

The title mol­ecule, C(26)H(35)N(5)O(2)S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)°]. The methyl­ene substituent on the piperazine ring occupies an equ...

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Autores principales: Al-Abdullah, Ebtehal S., Asiri, Hanadi H., El-Emam, Ali A., Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275271/
https://www.ncbi.nlm.nih.gov/pubmed/22347127
http://dx.doi.org/10.1107/S1600536811055668
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author Al-Abdullah, Ebtehal S.
Asiri, Hanadi H.
El-Emam, Ali A.
Ng, Seik Weng
author_facet Al-Abdullah, Ebtehal S.
Asiri, Hanadi H.
El-Emam, Ali A.
Ng, Seik Weng
author_sort Al-Abdullah, Ebtehal S.
collection PubMed
description The title mol­ecule, C(26)H(35)N(5)O(2)S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)°]. The methyl­ene substituent on the piperazine ring occupies an equatorial site. Weak inter­molecular C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a non-merohedral twin, with a 33.9 (3)% minor component.
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spelling pubmed-32752712012-02-15 Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate Al-Abdullah, Ebtehal S. Asiri, Hanadi H. El-Emam, Ali A. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(26)H(35)N(5)O(2)S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)°]. The methyl­ene substituent on the piperazine ring occupies an equatorial site. Weak inter­molecular C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a non-merohedral twin, with a 33.9 (3)% minor component. International Union of Crystallography 2012-01-31 /pmc/articles/PMC3275271/ /pubmed/22347127 http://dx.doi.org/10.1107/S1600536811055668 Text en © Al-Abdullah 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
Al-Abdullah, Ebtehal S.
Asiri, Hanadi H.
El-Emam, Ali A.
Ng, Seik Weng
Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title_full Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title_fullStr Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title_full_unstemmed Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title_short Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
title_sort ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1h-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275271/
https://www.ncbi.nlm.nih.gov/pubmed/22347127
http://dx.doi.org/10.1107/S1600536811055668
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