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

Jing B, Du YC, Zhu AX - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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 structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650504, People's Republic of China.

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. 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 structure.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids for non-H atoms.
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Related In: Results  -  Collection

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getmorefigures.php?uid=PMC3379377&req=5

Fap1: The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids for non-H atoms.


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

Jing B, Du YC, Zhu AX - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379377&req=5

Fap1: The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids for non-H atoms.
Bottom Line: 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 structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650504, People's Republic of China.

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. 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 structure.

No MeSH data available.


Related in: MedlinePlus