Cargando…
1-{4-[(1H-1,2,4-Triazol-1-yl)methyl]benzyl}-1H-1,2,4-triazol-4-ium perchlorate
In the crystal structure of the title compound, C(12)H(13)N(6) (+)·ClO(4) (−), the cation, located about an inversion center, is monoprotonated, and one H atom is disordered over two sites on N atoms of the two triazole rings, each with an occupancy factor of 0.5. The perchlorate anion has C (2) sym...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983622/ https://www.ncbi.nlm.nih.gov/pubmed/21580308 http://dx.doi.org/10.1107/S1600536810002618 |
Sumario: | In the crystal structure of the title compound, C(12)H(13)N(6) (+)·ClO(4) (−), the cation, located about an inversion center, is monoprotonated, and one H atom is disordered over two sites on N atoms of the two triazole rings, each with an occupancy factor of 0.5. The perchlorate anion has C (2) symmetry, the Cl atom and one O atom lying on the twofold rotation axis; the anion is thus disordered over two sites of equal occupancy. In the cation, the triazole ring makes a dihedral angle of 84.75 (7)° with the plane of the benzene ring. In the crystal, intermolecular N—H⋯N hydrogen bonding between the triazole and triazolium rings links the cations into a wave-like supramolecular chain. Weak intermolecular C—H⋯N and C—H⋯O hydrogen bonding is also present. |
---|