Cargando…

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

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 mol­ecules form centrosymmetric R (2) (2)(8) dimers via pairs of N—H⋯N h...

Descripción completa

Detalles Bibliográficos
Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Dolzhenko, Anna V., Koh, Lip Lin, Pastorin, Giorgia
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007048/
https://www.ncbi.nlm.nih.gov/pubmed/21588038
http://dx.doi.org/10.1107/S1600536810024591
Descripción
Sumario: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 mol­ecules 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 mol­ecules 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 mol­ecules are stacked along the a axis, with π–π inter­actions between the pyrazole and triazole rings [centroid–centroid distance = 3.4953 (10) Å].