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5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline

In the title mol­ecule, C(21)H(15)ClN(4)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Å and a maximum deviation of 0.098 (2) Å from the mean plane for the triazole ring C atom that is bonded to the thia­zole ring. The thia­zole and benzene rin...

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Autores principales: Khan, F. Nawaz, Manivel, P., Prabakaran, 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/PMC2979146/
https://www.ncbi.nlm.nih.gov/pubmed/21579114
http://dx.doi.org/10.1107/S160053681001278X
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author Khan, F. Nawaz
Manivel, P.
Prabakaran, K.
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_facet Khan, F. Nawaz
Manivel, P.
Prabakaran, K.
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_sort Khan, F. Nawaz
collection PubMed
description In the title mol­ecule, C(21)H(15)ClN(4)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Å and a maximum deviation of 0.098 (2) Å from the mean plane for the triazole ring C atom that is bonded to the thia­zole ring. The thia­zole and benzene rings are twisted by 66.36 (7) and 56.32 (7)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯N inter­actions along the a axis. The mol­ecular conformation is stabilized by a weak intra­molecular π–π inter­action involving the thia­zole and benzene rings, with a centroid–centroid distance of 3.6546 (11) Å. In addition, two other intermolecular π–π stacking inter­actions are observed, between the triazole and benzene rings and between the dihydro­pyridine and benzene rings [centroid–centroid distances = 3.6489 (11) and 3.5967 (10) Å, respectively].
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spelling pubmed-29791462010-12-30 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline Khan, F. Nawaz Manivel, P. Prabakaran, K. Hathwar, Venkatesha R. Akkurt, Mehmet Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(21)H(15)ClN(4)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Å and a maximum deviation of 0.098 (2) Å from the mean plane for the triazole ring C atom that is bonded to the thia­zole ring. The thia­zole and benzene rings are twisted by 66.36 (7) and 56.32 (7)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯N inter­actions along the a axis. The mol­ecular conformation is stabilized by a weak intra­molecular π–π inter­action involving the thia­zole and benzene rings, with a centroid–centroid distance of 3.6546 (11) Å. In addition, two other intermolecular π–π stacking inter­actions are observed, between the triazole and benzene rings and between the dihydro­pyridine and benzene rings [centroid–centroid distances = 3.6489 (11) and 3.5967 (10) Å, respectively]. International Union of Crystallography 2010-04-10 /pmc/articles/PMC2979146/ /pubmed/21579114 http://dx.doi.org/10.1107/S160053681001278X 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.
Akkurt, Mehmet
5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_full 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_fullStr 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_full_unstemmed 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_short 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
title_sort 5-(4-chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979146/
https://www.ncbi.nlm.nih.gov/pubmed/21579114
http://dx.doi.org/10.1107/S160053681001278X
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