6-Isopropyl-3-phenyl-5-(p-tol-yloxy)-3H-1,2,3-triazolo[4,5-d] pyrimidin-7(6H)-one: Whole-mol-ecule disorder

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Abstract

The title compound, C20H19N5O2, exhibits whole-mol-ecule disorder the refined ratios of the two components being 0.57 (2):0.43 (2). In the major component, the essentially planar [maximum deviation 0.033 (17) Å] fused pyrimidine and triazole ring system forms a dihedral angle of 10.5 (3)° with the phenyl ring, while in the minor component of disorder this angle is 27.5 (5)°. The crystal structure is stabilized by π-π stacking inter-actions between symmetry-related triazole and pyrimidine rings, with centroid-centroid distances of 3.594 (10) Å.

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Zeng, X. H., Deng, S. H., Chen, P., Wang, H. M., & Gao, H. T. (2009). 6-Isopropyl-3-phenyl-5-(p-tol-yloxy)-3H-1,2,3-triazolo[4,5-d] pyrimidin-7(6H)-one: Whole-mol-ecule disorder. Acta Crystallographica Section E: Structure Reports Online, 65(11). https://doi.org/10.1107/S1600536809039798

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