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(2E)-3-(4-Fluoro-phen-yl)-1-[5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one.


ABSTRACT: With respect to the triazole ring in the title compound, C19H16FN3O, the p-tolyl ring is inclined [dihedral angle = 51.79?(11)°], whereas the chalcone residue is almost coplanar [O-C-C-N and C-C-C-C torsion angles = -178.71?(19) and 178.42?(18)°, respectively]. The conformation about the C=C bond [1.328?(3)?Å] is E, and the triazole methyl group and the carbonyl O atom are syn. In the crystal, centrosymmetrically related mol-ecules are connected by ?-? inter-actions between the triazole and p-tolyl rings [centroid-centroid distance = 3.6599?(12)?Å] and these are linked into a three-dimensional architecture by C-H?N and C-H?? inter-actions.

PROVIDER: S-EPMC3647839 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

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