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Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione

The title compound, C(23)H(22)FN(5)S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol­ecules are lin...

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Autores principales: Kulkarni, Ajaykumar D., Rahman, Md. Lutfor, Mohd. Yusoff, Mashitah, Kwong, Huey Chong, Quah, Ching Kheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645009/
https://www.ncbi.nlm.nih.gov/pubmed/26594522
http://dx.doi.org/10.1107/S2056989015020101
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author Kulkarni, Ajaykumar D.
Rahman, Md. Lutfor
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
author_facet Kulkarni, Ajaykumar D.
Rahman, Md. Lutfor
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
author_sort Kulkarni, Ajaykumar D.
collection PubMed
description The title compound, C(23)H(22)FN(5)S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol­ecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via C—H⋯π inter­actions, forming chains along [1-10]. The chains are linked via π—π inter­actions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.
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spelling pubmed-46450092015-11-20 Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione Kulkarni, Ajaykumar D. Rahman, Md. Lutfor Mohd. Yusoff, Mashitah Kwong, Huey Chong Quah, Ching Kheng Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(23)H(22)FN(5)S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol­ecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via C—H⋯π inter­actions, forming chains along [1-10]. The chains are linked via π—π inter­actions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane. International Union of Crystallography 2015-10-31 /pmc/articles/PMC4645009/ /pubmed/26594522 http://dx.doi.org/10.1107/S2056989015020101 Text en © Kulkarni et al. 2015 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 Research Communications
Kulkarni, Ajaykumar D.
Rahman, Md. Lutfor
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title_full Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title_fullStr Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title_short Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione
title_sort crystal structure of 4-({(1e,2e)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1h-indol-2-yl]allyl­idene}amino)-5-methyl-1h-1,2,4-triazole-5(4h)-thione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645009/
https://www.ncbi.nlm.nih.gov/pubmed/26594522
http://dx.doi.org/10.1107/S2056989015020101
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