4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione

In the title compound, C(12)H(13)N(3)S, the 4,5-di­hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo­pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di­hydro-3H-1,2,4-triazole-3-thione ring and the p...

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Hassan, Alaa A., Albayati, Mustafa R.
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/PMC3998538/
https://www.ncbi.nlm.nih.gov/pubmed/24826140
http://dx.doi.org/10.1107/S1600536814005418
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description In the title compound, C(12)H(13)N(3)S, the 4,5-di­hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo­pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di­hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter­actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).
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spelling pubmed-39985382014-05-13 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Hassan, Alaa A. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(13)N(3)S, the 4,5-di­hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo­pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di­hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter­actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18). International Union of Crystallography 2014-03-15 /pmc/articles/PMC3998538/ /pubmed/24826140 http://dx.doi.org/10.1107/S1600536814005418 Text en © Mague 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
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title_full 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title_fullStr 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title_full_unstemmed 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title_short 4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
title_sort 4-phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998538/
https://www.ncbi.nlm.nih.gov/pubmed/24826140
http://dx.doi.org/10.1107/S1600536814005418
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