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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...

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Autores principales: Khan, F. Nawaz, Manivel, P., Prabakarana, K., Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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].
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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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