{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["70(Pt 7)"],"submitter":["Flores AF"],"pubmed_abstract":["In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloro-form solvate mol-ecules connect the pyrimidine mol-ecules into chains along [101] through weak C-H⋯N and C-H⋯Cl hydrogen-bond inter-actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o789-90"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4120551"],"repository":["biostudies-literature"],"pubmed_title":["2-[5-(2-Methyl-phen-yl)-3-(2-methyl-styryl)-4,5-di-hydro-1H-pyrazol-1-yl]-6-(thio-phen-2-yl)-4-(tri-fluoro-meth-yl)pyrimidine chloro-form monosolvate."],"pmcid":["PMC4120551"],"pubmed_authors":["Vicenti JR","Flores AF","Flores DC","Campos PT"],"additional_accession":[]},"is_claimable":false,"name":"2-[5-(2-Methyl-phen-yl)-3-(2-methyl-styryl)-4,5-di-hydro-1H-pyrazol-1-yl]-6-(thio-phen-2-yl)-4-(tri-fluoro-meth-yl)pyrimidine chloro-form monosolvate.","description":"In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloro-form solvate mol-ecules connect the pyrimidine mol-ecules into chains along [101] through weak C-H⋯N and C-H⋯Cl hydrogen-bond inter-actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.","dates":{"release":"2014-01-01T00:00:00Z","publication":"2014 Jul","modification":"2025-04-04T18:33:29.153Z","creation":"2019-03-27T01:33:20Z"},"accession":"S-EPMC4120551","cross_references":{"pubmed":["25161574"],"doi":["10.1107/S160053681401321X"]}}