{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 6)"],"submitter":["Wen QM"],"pubmed_abstract":["In the title mol-ecule, C(21)H(19)FN(4)O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the phenyl and fluoro-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds connect mol-ecules into layers parallel to (001)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1642"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379244"],"repository":["biostudies-literature"],"pubmed_title":["(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phen-yl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one."],"pmcid":["PMC3379244"],"pubmed_authors":["Yan CY","Wen QM","Zhou CH","Yin BT"],"additional_accession":[]},"is_claimable":false,"name":"(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phen-yl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.","description":"In the title mol-ecule, C(21)H(19)FN(4)O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the phenyl and fluoro-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds connect mol-ecules into layers parallel to (001).","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jun","modification":"2025-04-05T13:00:21.457Z","creation":"2019-03-27T00:54:43Z"},"accession":"S-EPMC3379244","cross_references":{"pubmed":["22719442"],"doi":["10.1107/S1600536812018454"]}}