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

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 ?-? stacking inter-actions [centroid-centroid distance = 3.7045?(8)?Å] stabilize the crystal packing.

SUBMITTER: Preis J

PROVIDER: S-EPMC3099827 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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

Preis Jasmin J Schollmeyer Dieter D Detert Heiner H

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

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. ...[more]

PMID: 21754244

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