{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 11)"],"submitter":["Kulkarni AD"],"pubmed_abstract":["The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1411-3"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4645009"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione."],"pmcid":["PMC4645009"],"pubmed_authors":["Rahman ML","Mohd Yusoff M","Kwong HC","Quah CK","Kulkarni AD"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione.","description":"The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 Nov","modification":"2025-04-18T23:09:40.537Z","creation":"2019-03-27T02:01:57Z"},"accession":"S-EPMC4645009","cross_references":{"pubmed":["26594522"],"doi":["10.1107/S2056989015020101"]}}