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2-Phenyl-7-(4-pyridyl-methyl-amino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one.

ABSTRACT: In the title compound, C(16)H(13)N(7)O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375?Å). The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36?(23)°], while the pyridine ring is turned out of this plane by the amino-methyl bridge [dihedral angle = 69.22?(9)°]. The amino group H atom is involved in intra-molecular hydrogen bonding with a triazole N atom. In the crystal, mol-ecules are connected via C(=O)NH?N hydrogen bonds into C(11) chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH?O=C hydrogen bond with the carbonyl O atom, which links the mol-ecules into C(6) chains running along [011] and [01].

SUBMITTER: Dolzhenko AV 

PROVIDER: S-EPMC3050179 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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2-Phenyl-7-(4-pyridyl-methyl-amino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one.

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

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title compound, C(16)H(13)N(7)O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å). The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23)°], while the pyridine ring is turned out of this plane by the amino-methyl bridge [dihedral angle = 69.22 (9)°]. The amino group H atom is involved in intra-molecular hydrogen bonding with a triazole N atom. In the crystal  ...[more]

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