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Title: 8-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo-[4,3-e][1,2,4] triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
Authors: Dolzhenko, A.V. 
Tan, G.K.
Dolzhenko, A.V.
Koh, L.L. 
Pastorin, G. 
Issue Date: 2010
Citation: Dolzhenko, A.V., Tan, G.K., Dolzhenko, A.V., Koh, L.L., Pastorin, G. (2010). 8-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo-[4,3-e][1,2,4] triazolo[1,5-c]pyrimidin-5-amine methanol disolvate. Acta Crystallographica Section E: Structure Reports Online 66 (7) : o1835-o1836. ScholarBank@NUS Repository.
Abstract: In the title compound, C14H10F3N 7·2CH4O, 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 R2 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 inter-actions between the pyrazole and triazole rings [centroid-centroid distance = 3.4953 (10) Å].
Source Title: Acta Crystallographica Section E: Structure Reports Online
ISSN: 16005368
DOI: 10.1107/S1600536810024591
Appears in Collections:Staff Publications

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