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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983247 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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