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. 2013 Apr 5;69(Pt 5):o638.
doi: 10.1107/S1600536813008246. Print 2013 May 1.

(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

Affiliations

(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

Bakr F Abdel-Wahab et al. Acta Crystallogr Sect E Struct Rep Online. .

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 π-π 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⋯π inter-actions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I) showing displacement ellipsoids at the 35% probability level.
Fig. 2.
Fig. 2.
A view of the crystal packing in projection down the c axis. The C—H···N, C—H···π and π—π interactions are shown as blue, orange and purple dashed lines, respectively.

References

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    1. Abdel-Wahab, B. F., Abdel-Latif, E., Ng, S. W. & Tiekink, E. R. T. (2013). Acta Cryst. E69, o639–o640. - PMC - PubMed
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