4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione

In the title compound, C(13)H(11)N(3)S(2), the triazole and thio­phene rings are coplanar [dihedral angle = 6.22 (13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58 (13)°], so that the mol­ecule has an L-shape. The thio­phene S atom is syn with the ring...

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Autores principales: Al-Shehri, Mona M., El-Emam, Ali A., El-Brollosy, Nasser R., 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/PMC3648233/
https://www.ncbi.nlm.nih.gov/pubmed/23723853
http://dx.doi.org/10.1107/S1600536813009501
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author Al-Shehri, Mona M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Al-Shehri, Mona M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Al-Shehri, Mona M.
collection PubMed
description In the title compound, C(13)H(11)N(3)S(2), the triazole and thio­phene rings are coplanar [dihedral angle = 6.22 (13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58 (13)°], so that the mol­ecule has an L-shape. The thio­phene S atom is syn with the ring imine N atom. In the crystal, eight-membered {⋯HNCS}(2) synthons form between centrosymmetrically related mol­ecules, leading to dimeric aggregates that are connected into a supra­molecular layer parallel to (101) by π–π inter­actions between centrosymmetrically related triazole rings [centroid–centroid distance = 3.6091 (15) Å] and C—H⋯π inter­actions.
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spelling pubmed-36482332013-05-30 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione Al-Shehri, Mona M. El-Emam, Ali A. El-Brollosy, Nasser R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(11)N(3)S(2), the triazole and thio­phene rings are coplanar [dihedral angle = 6.22 (13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58 (13)°], so that the mol­ecule has an L-shape. The thio­phene S atom is syn with the ring imine N atom. In the crystal, eight-membered {⋯HNCS}(2) synthons form between centrosymmetrically related mol­ecules, leading to dimeric aggregates that are connected into a supra­molecular layer parallel to (101) by π–π inter­actions between centrosymmetrically related triazole rings [centroid–centroid distance = 3.6091 (15) Å] and C—H⋯π inter­actions. International Union of Crystallography 2013-04-13 /pmc/articles/PMC3648233/ /pubmed/23723853 http://dx.doi.org/10.1107/S1600536813009501 Text en © Al-Shehri 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-Shehri, Mona M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_full 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_fullStr 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_full_unstemmed 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_short 4-Benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1H-1,2,4-triazole-5-thione
title_sort 4-benzyl-3-(thio­phen-2-yl)-4,5-di­hydro-1h-1,2,4-triazole-5-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648233/
https://www.ncbi.nlm.nih.gov/pubmed/23723853
http://dx.doi.org/10.1107/S1600536813009501
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