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3-Ethyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The mol-ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol-ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol-ecules are linked by N-H?N and N-H?S hydrogen bonds into chains running along the a axis. ?-? stacking inter-actions between the triazole rings [centroid-centroid distance = 3.740?(1)?Å and inter-planar distance = 3.376?Å] may further stabilize the structure.

SUBMITTER: Jing B

PROVIDER: S-EPMC3379377 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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3-Ethyl-1H-1,2,4-triazole-5(4H)-thione.

Jing Bi B Du Yuao-Chao YC Zhu Ai-Xin AX

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

The mol-ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol-ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds into chains running along the a axis. π-π stacking inter-actions between the triazole rings [centroid-centroid distance = 3.740 (1) Å and inter-planar distance = 3.376 Å] may further stabilize the structur ...[more]

PMID: 22719575

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