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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 ?-? 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

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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.

Dolzhenko Anton V AV Tan Geok Kheng GK Dolzhenko Anna V AV Koh Lip Lin LL Pastorin Giorgia G

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

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, formi ...[more]

PMID: 21588038

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