5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline

In the title mol­ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.090 (2) Å from the mean plane for the triazole ring C atom which is bonded to the thio­phene ring. The phenyl ring is twisted by 52....

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Autores principales: Khan, F. Nawaz, Manivel, P., Prabakaran, K., Hathwar, Venkatesha R., Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979772/
https://www.ncbi.nlm.nih.gov/pubmed/21579895
http://dx.doi.org/10.1107/S1600536810003181
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author Khan, F. Nawaz
Manivel, P.
Prabakaran, K.
Hathwar, Venkatesha R.
Ng, Seik Weng
author_facet Khan, F. Nawaz
Manivel, P.
Prabakaran, K.
Hathwar, Venkatesha R.
Ng, Seik Weng
author_sort Khan, F. Nawaz
collection PubMed
description In the title mol­ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.090 (2) Å from the mean plane for the triazole ring C atom which is bonded to the thio­phene ring. The phenyl ring is twisted by 52.0 (1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio­phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies being 0.73 (1):0.27 (1).
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spelling pubmed-29797722010-12-30 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline Khan, F. Nawaz Manivel, P. Prabakaran, K. Hathwar, Venkatesha R. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.090 (2) Å from the mean plane for the triazole ring C atom which is bonded to the thio­phene ring. The phenyl ring is twisted by 52.0 (1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio­phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies being 0.73 (1):0.27 (1). International Union of Crystallography 2010-01-30 /pmc/articles/PMC2979772/ /pubmed/21579895 http://dx.doi.org/10.1107/S1600536810003181 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.
Prabakaran, K.
Hathwar, Venkatesha R.
Ng, Seik Weng
5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_full 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_fullStr 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_full_unstemmed 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_short 5-Phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_sort 5-phenyl-3-(2-thien­yl)-1,2,4-triazolo[3,4-a]isoquinoline
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979772/
https://www.ncbi.nlm.nih.gov/pubmed/21579895
http://dx.doi.org/10.1107/S1600536810003181
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