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A second orthorhombic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine

Authors :
Ya-Wen Zhang
Jian-Quan Wang
Lin Cheng
Source :
Acta Crystallographica Section E, Vol 65, Iss 9, Pp o2261-o2261 (2009)
Publication Year :
2009
Publisher :
International Union of Crystallography, 2009.

Abstract

The present crystal structure is the second orthorhombic polymorph of the title compound, C14H12N4. Whereas the structure in Pnma with Z′ = 0.5 is already known [Ikemi et al. (2002). Heterocycl. Commun. 8, 439–442], the present structure crystallizes in the space group Pbca with Z′ = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C—N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent molecules are linked by N—H...N hydrogen bonds.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
65
Issue :
9
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.43e3292631e4632bc680ec58db8ba9d
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536809033807