1-(4-Methylphenyl)-1H-1,2,3,4-tetrazole

In the title compound, C8H8N4, the dihedral angle between the tetrazole and benzene rings is 21.6 (1)°. An intermolecular C—H⋯π interaction is observed.

In the title compound, C 8 H 8 N 4 , the dihedral angle between the tetrazole and benzene rings is 21.6 (1) . An intermolecular C-HÁ Á Á interaction is observed.
Cg is the centroid of the C2-C7 ring.
KB and YTJ acknowledge the support provided by the second stage of the BK21 Program. RK thanks the DST, New Delhi, India, for the X-ray data collection facility.

Comment
Tetrazoles are an important functional group with wide range of applications (Aridoss & Laali, 2011). They function as ligands in coordination chemistry, in medicinal chemistry as a metabolically stable surrogate for a carboxylic acid group (Singh et al., 1980) and in materials science applications including propellants (Brown, 1967) and explosives (Ostrovskii et al., 1999).
Bond lengths and bond angles are comparable with the similar crystal structures (Matsunaga et al., 1999;Lyakhov et al., 2000). The tetrazole and benzene rings are planar with maximum deviations of 0.006 (2) and 0.011 (2) Å (r.m.s. deviations of the rings being 0.005 and 0.008 Å), respectively. The two rings are not coplanar with the dihedral angle being 21.6 (1)°.

Experimental
The title compound was synthesized from the known procedure reported elsewhere (Aridoss & Laali, 2011). Fine white diffraction quality crystals were obtained from the slow evaporation of its solution in ethanol.

Refinement
All H atoms were refined using a riding model, with C-H = 0.93 Å (aromatic) or 0.96 Å (methyl), and with U iso (H) = 1.2U eq (C) or 1.5U eq (methyl C). Fig. 1. The molecular structure of the title compound, showing 30% probability displacement ellipsoids.

Figures
1-(4-Methylphenyl)-1H-1,2,3,4-tetrazole Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq