RESUMEN

The title compound, C(6)H(12)N(4), has four crystallographically independent molecules in the asymmetric unit. Intermolecular N-H...N hydrogen bonds involving amino groups and triazole N atoms form a three-dimensional framework involving R(4)(4)(10) and R(4)(4)(20) rings. The hydrogen bonding is supported by weak C-H...pi interactions.

RESUMEN

The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2) degrees, respectively. In (I), molecules are linked principally by N-H...N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R(4)4(20) and R(2)4(10) rings which link to give a three-dimensional network of molecules. The hydrogen bonding is supported by two different C-H...pi interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C-H...pi interactions produce R(3)4(15) and R(4)4(21) rings.

RESUMEN

The title compounds, C12H20N6O2, (I), and C5H9N3O2, (II), display the characteristic features of 1,2,4-triazole derivatives. Compound (I) lies about an inversion centre which is at the mid-point of the central C-C bond. Compound (II) also contains a planar 1,2,4-triazole ring but differs from (I) in that it has a hydroxy group attached to the ring. Molecules of (I) are held together in the crystal structure by intermolecular N-H...O contacts and by weak pi-pi stacking interactions between the 1,2,4-triazole moieties. Compound (II) contains intermolecular O-H...O and N-H...O hydrogen bonds.

Asunto(s)

Butanos/química , Propano/análogos & derivados , Triazoles/química , Enlace de Hidrógeno , Espectroscopía de Resonancia Magnética , Modelos Moleculares , Estructura Molecular , Propano/química , Espectrofotometría Infrarroja

RESUMEN

The title compound, C(13)H(13)ClN(4)O(2), contains both a phenyl and a triazole ring, both of which are approximately coplanar with the entire molecule. The triazole ring has substituents at the 1-, 2- and 4-positions. Intramolecular C-H.O and C-H.N interactions, together with intermolecular C-H.O and C-H.pi interactions, help to stabilize the structure.