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

ABSTRACT: 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 ??? 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.

SUBMITTER: Hu DY 

PROVIDER: S-EPMC2970279 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature