4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione

Hoong‐Kun Fun; Chin Sing Yeap; Shridhar Malladi; Mahesh Padaki; Arun M. Isloor

doi:10.1107/s1600536809032607

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4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1H-1,2,4-triazole-5(4H)-thione

Hoong‐Kun Fun Chin Sing Yeap Shridhar Malladi Mahesh Padaki Arun M. Isloor

Year: 2009 Journal: Acta Crystallographica Section E Structure Reports Online Vol: 65 (9)Pages: o2213-o2213 Publisher: International Union of Crystallography

DOI: 10.1107/s1600536809032607

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Abstract

The mol-ecule of the title compound, C(10)H(13)N(5)OS, is approximately planar, the dihedral angle between the triazole and benzene rings being 4.53 (10)°. The amino group adopts a pyramidal configuration. In the crystal structure, mol-ecules are linked into two-dimensional networks parallel to (001) by inter-molecular N-H⋯S and N-H⋯N hydrogen bonds. In addition, an S⋯S short contact of 3.3435 (7) Å is observed.

Keywords:

Dihedral angle 1,2,4-Triazole Hydrogen bond Benzene Chemistry Triazole Crystallography Crystal structure Bioinformatics Planar Molecule Medicinal chemistry Computer science Computer graphics (images) Organic chemistry

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Synthesis and Characterization of Heterocyclic Compounds

Physical Sciences → Chemistry → Organic Chemistry

Synthesis and biological activity

Physical Sciences → Chemistry → Organic Chemistry

Crystal structures of chemical compounds

Physical Sciences → Chemistry → Inorganic Chemistry

4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1H-1,2,4-triazole-5(4H)-thione

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