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

ABSTRACT: In the title triazole compound, C(10)H(12)N(4)OS, the triazole ring is essentially planar [maximum deviation = 0.009?(1)?Å] and forms a dihedral angle of 5.78?(4)° with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N-H?S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N-H?N and S?S [3.2634?(3)?Å] inter-actions. In addition, they are further inter-connected by weak N-H?S inter-actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2977210 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Goh Jia Hao JH Vijesh A M AM Padaki Mahesh M Isloor Arun M AM

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

In the title triazole compound, C(10)H(12)N(4)OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) Å] and forms a dihedral angle of 5.78 (4)° with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N-H⋯S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N-H⋯N and S⋯S [3.2634 (3) Å] inter-actions. In addition, they are further inter-connected by weak N-H⋯S inter-actions into sheets parallel to the ab plane. ...[more]

PMID: 21583604

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