{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 6)"],"submitter":["Jing B"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1802"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379377"],"repository":["biostudies-literature"],"pubmed_title":["3-Ethyl-1H-1,2,4-triazole-5(4H)-thione."],"pmcid":["PMC3379377"],"pubmed_authors":["Zhu AX","Du YC","Jing B"],"additional_accession":[]},"is_claimable":false,"name":"3-Ethyl-1H-1,2,4-triazole-5(4H)-thione.","description":"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.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jun","modification":"2025-04-05T12:59:44.193Z","creation":"2019-03-27T00:54:43Z"},"accession":"S-EPMC3379377","cross_references":{"pubmed":["22719575"],"doi":["10.1107/S1600536812021927"]}}