JOURNAL ARTICLE

4-Amino-3-(3-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-thione

B.K. SarojiniP.S. ManjulaGurumurthy HegdeDalbir KourSumati AnthalVivek K. GuptaRajni Kant

Year: 2013 Journal:   Acta Crystallographica Section E Structure Reports Online Vol: 69 (5)Pages: o728-o728   Publisher: International Union of Crystallography

Abstract

In the title mol-ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth-oxy group is approximtely coplanar with the benzene ring with a C C-O-Cmeth-yl torsion angle of 4.7 (3)°. In the crystal, N-H⋯S hydrogen bonds connect pairs of inversion-related mol-ecules, which are in turn connected by N-H⋯N hydrogen bonds into chains of rings along [010]. Weak C-H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).

Keywords:
Dihedral angle Hydrogen bond Benzene Ring (chemistry) Chemistry Triazole 1,2,4-Triazole Crystallography Crystal structure Bioinformatics Stereochemistry Medicinal chemistry Molecule Organic chemistry

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Citation History

Topics

Synthesis and biological activity
Physical Sciences →  Chemistry →  Organic Chemistry
Synthesis and Characterization of Heterocyclic Compounds
Physical Sciences →  Chemistry →  Organic Chemistry
Crystal structures of chemical compounds
Physical Sciences →  Chemistry →  Inorganic Chemistry

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