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3-Amino-1H-1,2,4-triazole-5(4H)-thione-4,4'-bipyridine (1/1).

ABSTRACT: The title two-component mol-ecular crystal, C(10)H(8)N(2)·C(2)H(4)N(4)S, was obtained unexpectedly by reaction of Zn(NO(3))(2)·6H(2)O, NH(4)BF(4) with 3-amino-1,2,4-triazole-5-thione (3-AMT) and 4,4'-bipyridine in water. The dihedral angle between the pyridine rings in the 4,4'-bipyridine molecule is 17.00?(13)°. In the crystal, N-H?N and N-H?S hydrogen bonds between the components lead to the formation of a three-dimensional network. Furthermore, the structure features face-to-face ?-? stacking inter-actions between the 4,4'-bipyridine and triazole rings, with a centroid-centroid distance of 2.976?(2)?Å.

SUBMITTER: Qiu QM

PROVIDER: S-EPMC3470238 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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3-Amino-1H-1,2,4-triazole-5(4H)-thione-4,4'-bipyridine (1/1).

Qiu Qi-Ming QM Jiang Yu-Han YH Huang Xu X Jin Qiong-Hua QH Zhang Cun-Lin CL

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

The title two-component mol-ecular crystal, C(10)H(8)N(2)·C(2)H(4)N(4)S, was obtained unexpectedly by reaction of Zn(NO(3))(2)·6H(2)O, NH(4)BF(4) with 3-amino-1,2,4-triazole-5-thione (3-AMT) and 4,4'-bipyridine in water. The dihedral angle between the pyridine rings in the 4,4'-bipyridine molecule is 17.00 (13)°. In the crystal, N-H⋯N and N-H⋯S hydrogen bonds between the components lead to the formation of a three-dimensional network. Furthermore, the structure features face-to-face π-π stacking ...[more]

PMID: 23125682

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