The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ) is researched.Formula: C10H7F2N3O.Wen, Qin-Mei; Yin, Ben-Tao; Yan, Cong-Yan; Zhou, Cheng-He published the article 《(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one》 about this compound( cas:86404-63-9 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: crystal structure hydrogen bond conformation fluoropyrrolidinylphenylphenyltriazolylpropenone; mol structure fluoropyrrolidinylphenylphenyltriazolylpropenone. Let’s learn more about this compound (cas:86404-63-9).
In the title mol., C21H19FN4O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the Ph and fluoro-substituted benzene rings, resp. The dihedral angle between the Ph 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 mols. into layers parallel to (001). Crystallog. data are given.
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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics