5-p-Tolyl-1H-tetra-zole.

Acta Crystallogr Sect E Struct Rep Online

Ordered Matter Science Research Center, College of Chemistry and Chemical, Engineering, Southeast University, Nanjing 210096, People's Republic of China.

Published: September 2009

The title compound, C(8)H(8)N(4), possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bis-ects the phenyl and tetra-zole rings. It is composed of a planar r.m.s. deviation (0.0012 Å) tetra-zole ring which is nearly coplanar with the benzene ring, the dihedral angle being 2.67 (9)°. In the crystal, symmetry-related mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds. The mol-ecules stack along [100] with a π⋯π inter-action involving the phenyl and tetra-zole rings of adjacent mol-ecules [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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970279PMC
http://dx.doi.org/10.1107/S1600536809036411DOI Listing

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