8-Methyl-2-[4-(trifluoro-meth-yl)phen-yl]-8H-pyrazolo-[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate.

ABSTRACT: In the title compound, C(14)H(10)F(3)N(7)·2CH(4)O, 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 mol-ecules form centrosymmetric R(2) (2)(8) dimers via pairs of N-H⋯N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol mol-ecules and its inversion equivalent are linked to the dimers via O-H⋯N and N-H⋯O hydrogen bonds, forming R(4) (4)(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol mol-ecules are stacked along the a axis, with π-π inter-actions between the pyrazole and triazole rings [centroid-centroid distance = 3.4953 (10) Å].

SUBMITTER: Dolzhenko AV 

PROVIDER: S-EPMC3007048 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature