1-{1-[2,8-Bis(trifluoro-meth-yl)-4-quin-olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone.

ABSTRACT: There are two independent mol-ecules 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 mol-ecules. The crystal structure is characterized by inter-molecular C-H?F, C-H?N and C-H?O hydrogen bonding. Weak intra-molecular C-H?F inter-actions are observed. Disorder is observed in two F atoms of one of the trifluoro-methyl groups of one independent mol-ecule [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 trifluoro-methyl groups of the second independent mol-ecule [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 mol-ecule.

SUBMITTER: Devarajegowda HC 

PROVIDER: S-EPMC2983247 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature