{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 8)"],"submitter":["Gallardo H"],"pubmed_abstract":["The title compound, C(10)H(7)F(3)N(2)O, is an analogue of pyrazolone derivatives with potential analgesic and anti-inflammatory properties. Its mol-ecular structure consists of phenyl and pyrazol-3(2H)-one units with a dihedral angle between the mean planes of the rings of 33.0?(1)°. The crystal structure is stabilized by an inter-molecular hydrogen bond between the N-H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol-ecules into supra-molecular C(5) chains along [001] and by weak ?-? stacking inter-actions between the phenyl rings [centroid-centroid distance = 3.881?(2)?Å]. The F atoms are disordered over two positions with refined site occupancies of 0.768(11) and 0.232(11)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2040-1"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2977152"],"repository":["biostudies-literature"],"pubmed_title":["2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one."],"pmcid":["PMC2977152"],"pubmed_authors":["Bortoluzzi AJ","Terra GG","Gallardo H","Girotto E"],"additional_accession":[]},"is_claimable":false,"name":"2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one.","description":"The title compound, C(10)H(7)F(3)N(2)O, is an analogue of pyrazolone derivatives with potential analgesic and anti-inflammatory properties. Its mol-ecular structure consists of phenyl and pyrazol-3(2H)-one units with a dihedral angle between the mean planes of the rings of 33.0?(1)°. The crystal structure is stabilized by an inter-molecular hydrogen bond between the N-H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol-ecules into supra-molecular C(5) chains along [001] and by weak ?-? stacking inter-actions between the phenyl rings [centroid-centroid distance = 3.881?(2)?Å]. The F atoms are disordered over two positions with refined site occupancies of 0.768(11) and 0.232(11).","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Jul","modification":"2021-02-20T14:40:36Z","creation":"2019-03-27T00:00:18Z"},"accession":"S-EPMC2977152","cross_references":{"pubmed":["21583705"],"doi":["10.1107/S1600536809029419"]}}