3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione

In the title compound, C(26)H(34)F(2)N(6)S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethyl­piperazinyl residue is folded away from the thione-S atom. In the crystal, helical sup...

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Autores principales: Al-Tamimi, Abdul-Malek S., Al-Abdullah, Ebtehal S., El-Emam, Ali A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647879/
https://www.ncbi.nlm.nih.gov/pubmed/23723845
http://dx.doi.org/10.1107/S1600536813009264
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author Al-Tamimi, Abdul-Malek S.
Al-Abdullah, Ebtehal S.
El-Emam, Ali A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Al-Tamimi, Abdul-Malek S.
Al-Abdullah, Ebtehal S.
El-Emam, Ali A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Al-Tamimi, Abdul-Malek S.
collection PubMed
description In the title compound, C(26)H(34)F(2)N(6)S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethyl­piperazinyl residue is folded away from the thione-S atom. In the crystal, helical supra­molecular chains propagating along [010] and sustained by weak C—S⋯π(triazole) inter­actions occur [S⋯centroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C—H⋯N(imine) and π–π [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241 (15) Å] and result in a three-dimensional architecture.
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spelling pubmed-36478792013-05-30 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione Al-Tamimi, Abdul-Malek S. Al-Abdullah, Ebtehal S. El-Emam, Ali A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(34)F(2)N(6)S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethyl­piperazinyl residue is folded away from the thione-S atom. In the crystal, helical supra­molecular chains propagating along [010] and sustained by weak C—S⋯π(triazole) inter­actions occur [S⋯centroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C—H⋯N(imine) and π–π [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241 (15) Å] and result in a three-dimensional architecture. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3647879/ /pubmed/23723845 http://dx.doi.org/10.1107/S1600536813009264 Text en © Al-Tamimi 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
Al-Tamimi, Abdul-Malek S.
Al-Abdullah, Ebtehal S.
El-Emam, Ali A.
Ng, Seik Weng
Tiekink, Edward R. T.
3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_full 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_fullStr 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_full_unstemmed 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_short 3-(Adamantan-1-yl)-4-[(E)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_sort 3-(adamantan-1-yl)-4-[(e)-(2,6-di­fluoro­benzyl­idene)amino]-1-[(4-ethyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1h-1,2,4-triazole-5-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647879/
https://www.ncbi.nlm.nih.gov/pubmed/23723845
http://dx.doi.org/10.1107/S1600536813009264
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