Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline- 3-carboxyl-ate

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2012

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Abstract

In the title compound, C <inf>20</inf>H <inf>14</inf>Cl <inf>2</inf>F <inf>3</inf>NO <inf>3</inf>, 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 carboxylate group. In the crystal, pairs of weak C - H?O and C - H?F hydrogen bonds link molecules into centrosymmetric dimers. The crystal structure is further stabilized by weak ?-? [centroid-centroid distance = 3.624 (2) Å] interactions.

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data-to-parameter ratio = 17.6, disorder in main residue, mean ?(C-C) = 0.004 Å, R factor = 0.056, single-crystal X-ray study, T = 296 K, wR factor = 0.179

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Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 2, pp. o435-o436

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