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5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline
In the title molecule, C(20)H(12)ClN(3)O, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.018 (3) Å and a maximum deviation of 0.034 (3) Å from the mean plane for the triazole ring C atom which is bonded to the benzene ring. The furan and benzene rings are twist...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979100/ https://www.ncbi.nlm.nih.gov/pubmed/21579118 http://dx.doi.org/10.1107/S1600536810012924 |
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author | Khan, F. Nawaz Manivel, P. Prabakarana, K. Hathwar, Venkatesha R. Akkurt, Mehmet |
author_facet | Khan, F. Nawaz Manivel, P. Prabakarana, K. Hathwar, Venkatesha R. Akkurt, Mehmet |
author_sort | Khan, F. Nawaz |
collection | PubMed |
description | In the title molecule, C(20)H(12)ClN(3)O, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.018 (3) Å and a maximum deviation of 0.034 (3) Å from the mean plane for the triazole ring C atom which is bonded to the benzene ring. The furan and benzene rings are twisted by 59.71 (14) and 66.95 (10)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. The molecular conformation is stabilized by an intramolecular π–π interaction [centroid-to-centroid distance = 3.5262 (18) Å]. The crystal packing is stabilized by weak C—H⋯π interactions and weak π–π interactions [centroid-to-centroid distance = 3.9431 (17) Å]. |
format | Text |
id | pubmed-2979100 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29791002010-12-30 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline Khan, F. Nawaz Manivel, P. Prabakarana, K. Hathwar, Venkatesha R. Akkurt, Mehmet Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(20)H(12)ClN(3)O, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.018 (3) Å and a maximum deviation of 0.034 (3) Å from the mean plane for the triazole ring C atom which is bonded to the benzene ring. The furan and benzene rings are twisted by 59.71 (14) and 66.95 (10)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. The molecular conformation is stabilized by an intramolecular π–π interaction [centroid-to-centroid distance = 3.5262 (18) Å]. The crystal packing is stabilized by weak C—H⋯π interactions and weak π–π interactions [centroid-to-centroid distance = 3.9431 (17) Å]. International Union of Crystallography 2010-04-14 /pmc/articles/PMC2979100/ /pubmed/21579118 http://dx.doi.org/10.1107/S1600536810012924 Text en © Khan 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 Khan, F. Nawaz Manivel, P. Prabakarana, K. Hathwar, Venkatesha R. Akkurt, Mehmet 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title | 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title_full | 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title_fullStr | 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title_full_unstemmed | 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title_short | 5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
title_sort | 5-(4-chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-a]isoquinoline |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979100/ https://www.ncbi.nlm.nih.gov/pubmed/21579118 http://dx.doi.org/10.1107/S1600536810012924 |
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