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4-Amino-3-(o-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol-ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94?(5)° in mol-ecule A and 77.60?(5)° in mol-ecule B. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?S, N-H?O, N-H?N and C-H?S hydrogen bonds and ?-? inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.5311?(6)?Å] are also present.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2977493 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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4-Amino-3-(o-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Liew Wei-Ching WC Vijesh A M AM Padaki Mahesh M Isloor Arun M AM

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol-ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol-ecule A and 77.60 (5)° in mol-ecule B. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯S, N-H⋯O, N-H⋯N and C-H⋯S hydrogen bonds and π-π inter-actions between the benzene and triazole rings [centroid-centro ...[more]

PMID: 21583598

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