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

The asymmetric unit of the titled compound, C(22)H(20)FN(5)S, comprises two independent mol­ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol­ecule A, the triazole ring m...

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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/PMC4719829/
https://www.ncbi.nlm.nih.gov/pubmed/26870420
http://dx.doi.org/10.1107/S205698901502201X
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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 asymmetric unit of the titled compound, C(22)H(20)FN(5)S, comprises two independent mol­ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol­ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol­ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol­ecules are consolidated into –A–B–A–B– chains along [010] via N—H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π–π inter­actions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) Å].
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spelling pubmed-47198292016-02-11 Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-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 asymmetric unit of the titled compound, C(22)H(20)FN(5)S, comprises two independent mol­ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol­ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol­ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol­ecules are consolidated into –A–B–A–B– chains along [010] via N—H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π–π inter­actions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) Å]. International Union of Crystallography 2015-11-25 /pmc/articles/PMC4719829/ /pubmed/26870420 http://dx.doi.org/10.1107/S205698901502201X 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)-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)-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)-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)-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)-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)-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)-1h-1,2,4-triazole-5(4h)-thione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719829/
https://www.ncbi.nlm.nih.gov/pubmed/26870420
http://dx.doi.org/10.1107/S205698901502201X
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