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1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone

There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(10)F(6)N(4)O. The triazole ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes being 74.47 (12) and 63.97 (13)° in the two mol­ecules. The crystal structure is charact...

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Autores principales: Devarajegowda, H. C., Jeyaseelan, S., Sumangala, V., Bojapoojary, Nayak, Suresh P.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983247/
https://www.ncbi.nlm.nih.gov/pubmed/21587507
http://dx.doi.org/10.1107/S1600536810034926
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author Devarajegowda, H. C.
Jeyaseelan, S.
Sumangala, V.
Bojapoojary,
Nayak, Suresh P.
author_facet Devarajegowda, H. C.
Jeyaseelan, S.
Sumangala, V.
Bojapoojary,
Nayak, Suresh P.
author_sort Devarajegowda, H. C.
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(10)F(6)N(4)O. The triazole ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes being 74.47 (12) and 63.97 (13)° in the two mol­ecules. The crystal structure is characterized by inter­molecular C—H⋯F, C—H⋯N and C—H⋯O hydrogen bonding. Weak intra­molecular C—H⋯F inter­actions are observed. Disorder is observed in two F atoms of one of the trifluoro­methyl groups of one independent mol­ecule [occupancy ratios 0.77 (3):0.23 (3) and 0.77 (4):0.23 (4)] and in all three F atoms of one of the trifluoro­methyl groups of the second independent mol­ecule [occupancy ratios 0.520 (14):0.480 (14), 0.615 (17):0.385 (17) and 0.783 (11):0.217 (11)]. The O atom is also disordered over two positions with occupancies of 0.60 (13) and 0.40 (13) in the first mol­ecule.
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spelling pubmed-29832472010-12-30 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone Devarajegowda, H. C. Jeyaseelan, S. Sumangala, V. Bojapoojary, Nayak, Suresh P. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(10)F(6)N(4)O. The triazole ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes being 74.47 (12) and 63.97 (13)° in the two mol­ecules. The crystal structure is characterized by inter­molecular C—H⋯F, C—H⋯N and C—H⋯O hydrogen bonding. Weak intra­molecular C—H⋯F inter­actions are observed. Disorder is observed in two F atoms of one of the trifluoro­methyl groups of one independent mol­ecule [occupancy ratios 0.77 (3):0.23 (3) and 0.77 (4):0.23 (4)] and in all three F atoms of one of the trifluoro­methyl groups of the second independent mol­ecule [occupancy ratios 0.520 (14):0.480 (14), 0.615 (17):0.385 (17) and 0.783 (11):0.217 (11)]. The O atom is also disordered over two positions with occupancies of 0.60 (13) and 0.40 (13) in the first mol­ecule. International Union of Crystallography 2010-09-08 /pmc/articles/PMC2983247/ /pubmed/21587507 http://dx.doi.org/10.1107/S1600536810034926 Text en © Devarajegowda 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
Devarajegowda, H. C.
Jeyaseelan, S.
Sumangala, V.
Bojapoojary,
Nayak, Suresh P.
1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title_full 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title_fullStr 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title_full_unstemmed 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title_short 1-{1-[2,8-Bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone
title_sort 1-{1-[2,8-bis(trifluoro­meth­yl)-4-quin­olyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983247/
https://www.ncbi.nlm.nih.gov/pubmed/21587507
http://dx.doi.org/10.1107/S1600536810034926
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