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5-p-Tolyl-1H-tetrazole
- 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 :
- Crystallography
QD901-999
Subjects
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