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(E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione

The title 1,2,4-triazole compound, C(34)H(34)FN(5)S, exists in a trans configuration with respect to the acyclic C=N bond. An intra­molecular C—H⋯S contact generates a six-membered ring, producing an S(6) ring motif. The essentially planar 1,2,4-triazole ring [maximum deviation 0.008 (1) Å] is incli...

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Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Vinayaka, A. C., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980061/
https://www.ncbi.nlm.nih.gov/pubmed/21580181
http://dx.doi.org/10.1107/S1600536809052039
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author Goh, Jia Hao
Fun, Hoong-Kun
Vinayaka, A. C.
Kalluraya, B.
author_facet Goh, Jia Hao
Fun, Hoong-Kun
Vinayaka, A. C.
Kalluraya, B.
author_sort Goh, Jia Hao
collection PubMed
description The title 1,2,4-triazole compound, C(34)H(34)FN(5)S, exists in a trans configuration with respect to the acyclic C=N bond. An intra­molecular C—H⋯S contact generates a six-membered ring, producing an S(6) ring motif. The essentially planar 1,2,4-triazole ring [maximum deviation 0.008 (1) Å] is inclined at 21.43 (5) and 83.03 (6)°, respectively, with respect to the flurophenyl unit and the isobutyl-substituted benzene ring. The diphenyl­amino unit is not planar, as indicated by the dihedral angle between two phenyl rings of 76.95 (6)°. The crystal structure is stabilized by C—H⋯π and π–π [centroid–centroid distance = 3.6169 (6) Å] inter­actions; mol­ecules are stacked along the b axis.
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spelling pubmed-29800612010-12-30 (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione Goh, Jia Hao Fun, Hoong-Kun Vinayaka, A. C. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title 1,2,4-triazole compound, C(34)H(34)FN(5)S, exists in a trans configuration with respect to the acyclic C=N bond. An intra­molecular C—H⋯S contact generates a six-membered ring, producing an S(6) ring motif. The essentially planar 1,2,4-triazole ring [maximum deviation 0.008 (1) Å] is inclined at 21.43 (5) and 83.03 (6)°, respectively, with respect to the flurophenyl unit and the isobutyl-substituted benzene ring. The diphenyl­amino unit is not planar, as indicated by the dihedral angle between two phenyl rings of 76.95 (6)°. The crystal structure is stabilized by C—H⋯π and π–π [centroid–centroid distance = 3.6169 (6) Å] inter­actions; mol­ecules are stacked along the b axis. International Union of Crystallography 2009-12-09 /pmc/articles/PMC2980061/ /pubmed/21580181 http://dx.doi.org/10.1107/S1600536809052039 Text en © Goh et al. 2010 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
Goh, Jia Hao
Fun, Hoong-Kun
Vinayaka, A. C.
Kalluraya, B.
(E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_fullStr (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_short (E)-1-[(Diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione
title_sort (e)-1-[(diphenyl­amino)meth­yl]-4-(4-fluoro­benzyl­ideneamino)-3-[1-(4-iso­butyl­phen­yl)eth­yl]-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980061/
https://www.ncbi.nlm.nih.gov/pubmed/21580181
http://dx.doi.org/10.1107/S1600536809052039
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