3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

The title compound, C(19)H(23)N(3)S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming...

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Detalles Bibliográficos
Autores principales: Al-Omary, Fatmah A. M., Ghabbour, Hazem A., El-Emam, Ali A., Chidan Kumar, C. S., Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120616/
https://www.ncbi.nlm.nih.gov/pubmed/25161557
http://dx.doi.org/10.1107/S1600536814013257
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author Al-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
author_facet Al-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
author_sort Al-Omary, Fatmah A. M.
collection PubMed
description The title compound, C(19)H(23)N(3)S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers that enclose R (2) (2)(8) loops. The crystal packing is further stabilized by weak C—H⋯π inter­actions that link adjacent dimeric units into supra­molecular chains extending along the a-axis direction.
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spelling pubmed-41206162014-08-26 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione Al-Omary, Fatmah A. M. Ghabbour, Hazem A. El-Emam, Ali A. Chidan Kumar, C. S. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(19)H(23)N(3)S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers that enclose R (2) (2)(8) loops. The crystal packing is further stabilized by weak C—H⋯π inter­actions that link adjacent dimeric units into supra­molecular chains extending along the a-axis direction. International Union of Crystallography 2014-06-14 /pmc/articles/PMC4120616/ /pubmed/25161557 http://dx.doi.org/10.1107/S1600536814013257 Text en © Al-Omary et al. 2014 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-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title_full 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title_short 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-(adamantan-1-yl)-4-benzyl-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120616/
https://www.ncbi.nlm.nih.gov/pubmed/25161557
http://dx.doi.org/10.1107/S1600536814013257
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