{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 10)"],"submitter":["Fun HK"],"pubmed_abstract":["The title compound, C(15)H(16)N(6)O(2)S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59?(8) and 73.94?(8)°, respectively, with the 1,2,4-triazole and benzene rings. The mol-ecular structure is stabilized by an intra-molecular C-H?S hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular N-H?S hydrogen bonds, generating eight-membered R(2) (2)(8) ring motifs. The dimers are further connected by C-H?O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744?(7) and 0.256?(7)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2668-9"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3201362"],"repository":["biostudies-literature"],"pubmed_title":["(E)-4-{[(3-Propyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]-meth-yl}-3-(p-tol-yl)-1,2,3-oxadiazol-3-ium-5-olate."],"pmcid":["PMC3201362"],"pubmed_authors":["Nithinchandra","Fun HK","Kalluraya B","Quah CK"],"additional_accession":[]},"is_claimable":false,"name":"(E)-4-{[(3-Propyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]-meth-yl}-3-(p-tol-yl)-1,2,3-oxadiazol-3-ium-5-olate.","description":"The title compound, C(15)H(16)N(6)O(2)S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59?(8) and 73.94?(8)°, respectively, with the 1,2,4-triazole and benzene rings. The mol-ecular structure is stabilized by an intra-molecular C-H?S hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular N-H?S hydrogen bonds, generating eight-membered R(2) (2)(8) ring motifs. The dimers are further connected by C-H?O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744?(7) and 0.256?(7).","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Oct","modification":"2021-02-21T02:06:26Z","creation":"2019-03-26T23:59:29Z"},"accession":"S-EPMC3201362","cross_references":{"pubmed":["22065521"],"doi":["10.1107/S1600536811037287"]}}