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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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]. |
format | Online Article Text |
id | pubmed-4719829 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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