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7-(4-Fluoro-benzyl-amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate.

ABSTRACT: The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215?Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56?(4)°]. In the crystal, centrosymmetric inversion dimers connected via inter-molecular N-H?N hydrogen bonds between H atom of the primary amino group and the triazine N atom [R(2) (2)(8) graph-set motif] form sheets parallel to (010). A second set of dimers connected via N-H?F hydrogen bonds between the other H atom of the primary amino group and the F atom forms an R(2) (2)(24) graph-set motif linking the sheets. Methanol solvent mol-ecules are packed in channels running along the [010] direction.

SUBMITTER: Dolzhenko AV

PROVIDER: S-EPMC3089080 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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7-(4-Fluoro-benzyl-amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate.

Dolzhenko Anton V AV Tan Geok Kheng GK Koh Lip Lin LL Dolzhenko Anna V AV Chui Wai Keung WK

Acta crystallographica. Section E, Structure reports online 20110422 Pt 5

The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215 Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56 (4)°]. In the crystal, centrosymmetric inversion dimers connected via inter-molecular N-H⋯N hydrogen bonds between H atom of the primary amino group and the triazine N atom [R(2) (2)(8) graph-set motif] form sheets parallel to (010). A sec ...[more]

PMID: 21754486

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