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. 2011 Apr 1;67(Pt 4):o987.
doi: 10.1107/S1600536811010683. Epub 2011 Mar 26.

5-Methyl-3-(3-methyl-phen-yl)-7-phenyl-1,2,4-triazolo[4,3-c]pyrimidine

Jasmin Preis  1 , Dieter Schollmeyer, Heiner Detert
Affiliations

5-Methyl-3-(3-methyl-phen-yl)-7-phenyl-1,2,4-triazolo[4,3-c]pyrimidine

Jasmin Preis et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C(19)H(16)N(4), is one of the few known 3,7-diaryl-1,2,4-triazolo[4,3-c]pyrimidines. The triazolopyrimidine unit is essentially planar (r.m.s. deviation = 0.048 Å). The phenyl ring and the heterocyclic core subtend a dihedral angle of only 15.09 (6)°, whereas the m-tolyl ring is twisted by 71.80 (6)° out of the plane of the triazole ring. Two C-H⋯N hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.7045 (8) Å] stabilize the crystal packing.

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Figures

Fig. 1.
Fig. 1.
View of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Part of the packing diagram showing the hydrogen bonds and the π-π-interactions. View along a axis.
See this image and copyright information in PMC

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