8-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate

• Main Authors: Anton V. Dolzhenko, Geok Kheng Tan, Anna V. Dolzhenko, Lip Lin Koh, Giorgia Pastorin
• Format: Article
• Language: English
• Published: International Union of Crystallography 2010-07-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536810024591

In the title compound, C14H10F3N7·2CH4O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 Å) and makes a dihedral angle of 6.91 (8)° with the attached benzene ring. In the crystal, the main molecules form centrosymmetric R22(8) dimers via pairs of N—H...N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol molecules and its inversion equivalent are linked to the dimers via O—H...N and N—H...O hydrogen bonds, forming R44(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol molecules are stacked along the a axis, with π–π interactions between the pyrazole and triazole rings [centroid–centroid distance = 3.4953 (10) Å].