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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.

SUBMITTER: Abdel-Wahab BF 

PROVIDER: S-EPMC3647839 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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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.

Abdel-Wahab Bakr F BF   Abdel-Wahab Bakr F BF   Mohamed Hanan A HA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

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 π-π inter-actions between the triazole and p-to  ...[more]

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