{"database":"biostudies-literature","file_versions":[],"scores":{"citationCount":0,"reanalysisCount":0,"viewCount":45,"searchCount":0},"additional":{"omics_type":["Unknown"],"volume":["68(Pt 9)"],"submitter":["Fun HK"],"pubmed_abstract":["In the title compound, C(21)H(16)BrFN(2), the fluoro-substituted benzene ring is disordered over two orientations about the C-F bond and the C-C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into a layer parallel to the bc plane through C-H⋯π inter-actions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2680"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3435702"],"repository":["biostudies-literature"],"pubmed_title":["5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole."],"pmcid":["PMC3435702"],"pubmed_authors":["Sarojini BK","Fun HK","Narayana B","Chia TS","Sapnakumari M"],"view_count":["45"],"additional_accession":[]},"is_claimable":false,"name":"5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.","description":"In the title compound, C(21)H(16)BrFN(2), the fluoro-substituted benzene ring is disordered over two orientations about the C-F bond and the C-C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into a layer parallel to the bc plane through C-H⋯π inter-actions.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Sep","modification":"2024-11-20T09:00:10.451Z","creation":"2019-03-27T00:57:39Z"},"accession":"S-EPMC3435702","cross_references":{"pubmed":["22969573"],"doi":["10.1107/S160053681203454X"]}}