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5-p-Tolyl-1H-tetra­zole

The title compound, C(8)H(8)N(4), possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bis­ects the phenyl and tetra­zole rings. It is composed of a planar r.m.s. deviation (0.0012 Å) tetra­zole ring which is nearly coplanar with the benzene ring, the di...

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Detalles Bibliográficos
Autores principales: Hu, Dong-Yue, Chu, Xiao-Wei, Qu, Zhi-Rong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970279/
https://www.ncbi.nlm.nih.gov/pubmed/21577918
http://dx.doi.org/10.1107/S1600536809036411
Descripción
Sumario:The title compound, C(8)H(8)N(4), possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bis­ects the phenyl and tetra­zole rings. It is composed of a planar r.m.s. deviation (0.0012 Å) tetra­zole ring which is nearly coplanar with the benzene ring, the dihedral angle being 2.67 (9)°. In the crystal, symmetry-related mol­ecules are linked by inter­molecular N—H⋯N hydrogen bonds. The mol­ecules stack along [100] with a π⋯π inter­action involving the phenyl and tetra­zole rings of adjacent mol­ecules [centroid–centroid distance = 3.5639 (15) Å]. The H atom of the N—H group is disordered over two sites of equal occupancy. The methyl H atoms were modelled as disordered over two sets of sites of equal occupancy rotated by 60° with respect to each other.