3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione

The title mol­ecule, C(29)H(35)N(5)S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001 Å) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9 (1)°]. The substituents on...

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Autores principales: Al-Abdullah, Ebtehal S., Asiri, Hanadi H., El-Emam, Ali, 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/PMC3275029/
https://www.ncbi.nlm.nih.gov/pubmed/22346974
http://dx.doi.org/10.1107/S1600536811055711
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author Al-Abdullah, Ebtehal S.
Asiri, Hanadi H.
El-Emam, Ali
Ng, Seik Weng
author_facet Al-Abdullah, Ebtehal S.
Asiri, Hanadi H.
El-Emam, Ali
Ng, Seik Weng
author_sort Al-Abdullah, Ebtehal S.
collection PubMed
description The title mol­ecule, C(29)H(35)N(5)S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001 Å) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9 (1)°]. The substituents on the piperazine ring occupy equatorial sites. In the crystal, the adamantyl cage is disordered over two sets of sites with a major component of 67.8 (5)%. Weak inter­molecular C—H⋯S hydrogen bonding is present in the crystal.
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spelling pubmed-32750292012-02-15 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione Al-Abdullah, Ebtehal S. Asiri, Hanadi H. El-Emam, Ali Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(29)H(35)N(5)S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001 Å) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9 (1)°]. The substituents on the piperazine ring occupy equatorial sites. In the crystal, the adamantyl cage is disordered over two sets of sites with a major component of 67.8 (5)%. Weak inter­molecular C—H⋯S hydrogen bonding is present in the crystal. International Union of Crystallography 2012-01-11 /pmc/articles/PMC3275029/ /pubmed/22346974 http://dx.doi.org/10.1107/S1600536811055711 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
Ng, Seik Weng
3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_short 3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-(adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275029/
https://www.ncbi.nlm.nih.gov/pubmed/22346974
http://dx.doi.org/10.1107/S1600536811055711
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