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Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate.

ABSTRACT: The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol-ecules with similar conformations. In the crystal, N-H⋯O hydrogen bonds link alternating independent mol-ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol-ecules are almost perpendicular to each other, forming a dihedral angle of 89.8 (1)°. π-π inter-actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid-centroid distances are 3.495 (1) and 3.603 (1) Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C-H⋯F and C-H⋯O inter-actions further consolidate the crystal packing.

SUBMITTER: Garudachari B 

PROVIDER: S-EPMC3588845 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate.

Garudachari B B   Islor Arun M AM   Satyanarayan M N MN   Gerber Thomas T   Hosten Eric E   Betz Richard R  

Acta crystallographica. Section E, Structure reports online 20121110 Pt 12

The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol-ecules with similar conformations. In the crystal, N-H⋯O hydrogen bonds link alternating independent mol-ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol-ecules are almost perpendicular to each other, forming a dihedral angle of 89.8 (1)°. π-π inter-actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dim  ...[more]

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