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, C16H10F6N4O. 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. T...

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Bibliographic Details
Main Authors: Bojapoojary, Suresh P. Nayak, V. Sumangala, S. Jeyaseelan, H. C. Devarajegowda
Format: Article
Language:English
Published: International Union of Crystallography 2010-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810034926
Description
Summary:There are two independent molecules in the asymmetric unit of the title compound, C16H10F6N4O. 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.
ISSN:1600-5368