{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 12)"],"submitter":["Garudachari B"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3304-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3588845"],"repository":["biostudies-literature"],"pubmed_title":["Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate."],"pmcid":["PMC3588845"],"pubmed_authors":["Hosten E","Garudachari B","Satyanarayan MN","Islor AM","Gerber T","Betz R"],"additional_accession":[]},"is_claimable":false,"name":"Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate.","description":"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.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Dec","modification":"2025-04-21T23:40:17.188Z","creation":"2019-03-27T01:05:39Z"},"accession":"S-EPMC3588845","cross_references":{"pubmed":["23468810"],"doi":["10.1107/S1600536812045321"]}}