{"database":"biostudies-literature","file_versions":[],"scores":{"citationCount":0,"reanalysisCount":0,"viewCount":54,"searchCount":0},"additional":{"omics_type":["Unknown"],"volume":["70(Pt 7)"],"submitter":["Narayana B"],"pubmed_abstract":["In the title compound, C21H23ClN2O, the dihedral angle between the benzene rings is 83.2?(6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043?(1)?Å] makes dihedral angles of 3.4?(3) and 86.2?(1)° with the benzene rings. In the crystal, a pair of weak C-H?O inter-actions between the benzene ring and the propan-1-one group link the mol-ecules into an inversion dimer with an R 2 (2)(16) graph-set motif. In addition, a weak ?-? stacking inter-action [centroid-centroid distance = 3.959?(4)?Å] connects the dimers into a tape running along [201]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o763-4"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4120579"],"repository":["biostudies-literature"],"pubmed_title":["1-{3-(4-Chloro-phen-yl)-5-[4-(propan-2-yl)phen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}propan-1-one."],"pmcid":["PMC4120579"],"pubmed_authors":["Salian VV","Sarojini BK","Jasinski JP","Narayana B"],"view_count":["54"],"additional_accession":[]},"is_claimable":false,"name":"1-{3-(4-Chloro-phen-yl)-5-[4-(propan-2-yl)phen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}propan-1-one.","description":"In the title compound, C21H23ClN2O, the dihedral angle between the benzene rings is 83.2?(6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043?(1)?Å] makes dihedral angles of 3.4?(3) and 86.2?(1)° with the benzene rings. In the crystal, a pair of weak C-H?O inter-actions between the benzene ring and the propan-1-one group link the mol-ecules into an inversion dimer with an R 2 (2)(16) graph-set motif. In addition, a weak ?-? stacking inter-action [centroid-centroid distance = 3.959?(4)?Å] connects the dimers into a tape running along [201].","dates":{"release":"2014-01-01T00:00:00Z","publication":"2014 Jul","modification":"2021-02-25T08:12:13Z","creation":"2019-03-27T01:33:20Z"},"accession":"S-EPMC4120579","cross_references":{"pubmed":["25161555"],"doi":["10.1107/S1600536814013075"]}}