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5-p-Tolyl-1H-tetrazole

Authors :
Dong-Yue Hu
Xiao-Wei Chu
Zhi-Rong Qu
Source :
Acta Crystallographica Section E, Vol 65, Iss 10, Pp o2463-o2463 (2009)
Publication Year :
2009
Publisher :
International Union of Crystallography, 2009.

Abstract

The title compound, C8H8N4, 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.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
65
Issue :
10
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.b220b57599e54e78a37dc1d541a5d3d3
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536809036411