Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



hb7062 scheme

Acta Cryst. (2013). E69, o639-o640    [ doi:10.1107/S1600536813008258 ]

(2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one

B. F. Abdel-Wahab, E. Abdel-Latif, S. W. Ng and E. R. T. Tiekink

Abstract: Two independent molecules comprise the asymmetric unit of the title compound, C24H26N4O. The major difference between them is found in the relative orientation of the triazole-bound p-tolyl group which have the opposite sense of twist [N-N-C-C torsion angles = 55.8 (3) and -49.8 (3)°]. The chalcone residue is almost coplanar with the triazole ring [N-C-C-O and C-C-C-C torsion angles = -178.9 (2) and -178.5 (2)°, respectively; cf. 177.9 (3) and 168.5 (3)°, respectively, in the second molecule]. The conformation about each C=C double bond is E and in each case the triazole methyl group is syn to the carbonyl O atom. In the crystal, molecules aggregate into layers parallel to (-113). The first independent molecule self-associates into a layer via C-H...O and C-H...[pi] interactions. By contrast, layers comprising the second independent molecule do not feature specific interactions between molecules. The global crystal packing comprises alternating layers.


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