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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...

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Detalles Bibliográficos
Autores principales: Hu, Zhao-Jian, Guo, Xiu-Kai, Xu, Huan, He, Ming-Yang, Geng, Li
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
Descripción
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.