<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>71(Pt 12)</volume><submitter>Kulkarni AD</submitter><pubmed_abstract>The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent mol-ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol-ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol-ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol-ecules are consolidated into -A-B-A-B- chains along [010] via N-H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distances = 3.3436 (11)-3.4792 (13) Å].</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>1525-7</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4719829</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-1H-1,2,4-triazole-5(4H)-thione.</pubmed_title><pmcid>PMC4719829</pmcid><pubmed_authors>Rahman ML</pubmed_authors><pubmed_authors>Mohd Yusoff M</pubmed_authors><pubmed_authors>Kwong HC</pubmed_authors><pubmed_authors>Quah CK</pubmed_authors><pubmed_authors>Kulkarni AD</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-1H-1,2,4-triazole-5(4H)-thione.</name><description>The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent mol-ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol-ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol-ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol-ecules are consolidated into -A-B-A-B- chains along [010] via N-H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distances = 3.3436 (11)-3.4792 (13) Å].</description><dates><release>2015-01-01T00:00:00Z</release><publication>2015 Dec</publication><modification>2025-04-21T16:22:02.67Z</modification><creation>2019-03-27T02:07:12Z</creation></dates><accession>S-EPMC4719829</accession><cross_references><pubmed>26870420</pubmed><doi>10.1107/S205698901502201X</doi></cross_references></HashMap>