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Ethyl 1-(2,4-dichloro-benz-yl)-4-oxo-7-trifluoro-meth-yl-1,4-dihydro-quinoline-3-carboxyl-ate.

ABSTRACT: In the title compound, C(20)H(14)Cl(2)F(3)NO(3), the trifluromethyl group is disordered over two sets of sites in a 0.784?(10):0.216?(10) ratio. The quinoline ring system is essentially planar with a maximum deviation of 0.058?(2)?Å for the N atom and forms dihedral angles of 89.23?(11) and 8.13?(17)°, respectively with the mean planes of the benzene ring and the carboxyl-ate group. In the crystal, pairs of weak C-H?O and C-H?F hydrogen bonds link mol-ecules into centrosymmetric dimers. The crystal structure is further stabilized by weak ?-? [centroid-centroid distance = 3.624?(2)?Å] inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3275192 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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Ethyl 1-(2,4-dichloro-benz-yl)-4-oxo-7-trifluoro-meth-yl-1,4-dihydro-quinoline-3-carboxyl-ate.

Fun Hoong-Kun HK   Ooi Chin Wei CW   Garudachari B B   Isloor Arun M AM   Hegde Gurumurthy G  

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title compound, C(20)H(14)Cl(2)F(3)NO(3), the trifluromethyl group is disordered over two sets of sites in a 0.784 (10):0.216 (10) ratio. The quinoline ring system is essentially planar with a maximum deviation of 0.058 (2) Å for the N atom and forms dihedral angles of 89.23 (11) and 8.13 (17)°, respectively with the mean planes of the benzene ring and the carboxyl-ate group. In the crystal, pairs of weak C-H⋯O and C-H⋯F hydrogen bonds link mol-ecules into centrosymmetric dimers. The crys  ...[more]

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