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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2980061 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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