<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>66(Pt 5)</volume><submitter>Goh JH</submitter><pubmed_abstract>In the title compound, C(26)H(32)FN(5)OS·0.5CH(4)O, the methyl group of the methanol solvent mol-ecule is disordered over two sites with equal occupancies and the solvent is further disordered about a crystallographic twofold rotation axis. The organic mol-ecule exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. The essentially planar 1,2,4-triazole ring [maximum deviation = 0.013 (2) Å] forms dihedral angles of 11.21 (10) and 67.53 (11)°, respectively, with the fluoro-phenyl unit and the isobutyl-substituted benzene ring. The crystal structure is stabilized by a weak inter-molecular C-H⋯π inter-action.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1233-4</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979111</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>(E)-4-[(4-Fluoro-benzyl-idene)amino]-3-[1-(4-isobutyl-phen-yl)eth-yl]-1-(morpholino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione methanol hemisolvate.</pubmed_title><pmcid>PMC2979111</pmcid><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Goh JH</pubmed_authors><pubmed_authors>Kalluraya B</pubmed_authors><pubmed_authors>Vinayaka AC</pubmed_authors></additional><is_claimable>false</is_claimable><name>(E)-4-[(4-Fluoro-benzyl-idene)amino]-3-[1-(4-isobutyl-phen-yl)eth-yl]-1-(morpholino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione methanol hemisolvate.</name><description>In the title compound, C(26)H(32)FN(5)OS·0.5CH(4)O, the methyl group of the methanol solvent mol-ecule is disordered over two sites with equal occupancies and the solvent is further disordered about a crystallographic twofold rotation axis. The organic mol-ecule exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. The essentially planar 1,2,4-triazole ring [maximum deviation = 0.013 (2) Å] forms dihedral angles of 11.21 (10) and 67.53 (11)°, respectively, with the fluoro-phenyl unit and the isobutyl-substituted benzene ring. The crystal structure is stabilized by a weak inter-molecular C-H⋯π inter-action.</description><dates><release>2010-01-01T00:00:00Z</release><publication>2010 Apr</publication><modification>2025-04-04T14:42:30.638Z</modification><creation>2019-03-27T00:00:55Z</creation></dates><accession>S-EPMC2979111</accession><cross_references><pubmed>21579255</pubmed><doi>10.1107/S1600536810015217</doi></cross_references></HashMap>