3-Ethyl-4-[(E)-2-methylbenzylideneamino]-1H-1,2,4-triazole-5(4H)-thione

Crystals of the title compound, C12H14N4S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methylbenzaldehyde. In the molecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole ring...

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Detalles Bibliográficos
Main Authors: Shan-Heng Wang, Ying-Li Xu, Pei-Jin Xie, Wen-Long Wang, Shang Shan
Formato: Artigo
Idioma:English
Publicado: International Union of Crystallography 2008-08-01
Series:Acta Crystallographica Section E
Acceso en liña:http://scripts.iucr.org/cgi-bin/paper?S1600536808019867
Descripción
Summary:Crystals of the title compound, C12H14N4S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methylbenzaldehyde. In the molecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole rings are located on opposite sites of this double bond. The two rings are approximately parallel to each other, the dihedral angle being 1.75 (11)°. A partially overlapped arrangement is observed between the nearly parallel triazole and benzene rings of adjacent molecules; the perpendicular distance of the centroid of the triazole ring from the benzene ring is 3.482 Å, indicating the existence of π–π stacking in the crystal structure.
ISSN:1600-5368