{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 6)"],"submitter":["Jeyaseelan S"],"pubmed_abstract":["In the title compound, C(12)H(11)FN(4)S, the thia-diazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothia-diazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C-H⋯N hydrogen bonds. The crystal packing also exhibits π-π inter-actions, with a centroid-centroid distance of 3.6348 (15) Å."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1860"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379427"],"repository":["biostudies-literature"],"pubmed_title":["3-Ethyl-6-(4-fluoro-phen-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine."],"pmcid":["PMC3379427"],"pubmed_authors":["D'souza AS","Jeyaseelan S","Devarajegowda HC","D'souza A","Sathishkumar R"],"additional_accession":[]},"is_claimable":false,"name":"3-Ethyl-6-(4-fluoro-phen-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.","description":"In the title compound, C(12)H(11)FN(4)S, the thia-diazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothia-diazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C-H⋯N hydrogen bonds. The crystal packing also exhibits π-π inter-actions, with a centroid-centroid distance of 3.6348 (15) Å.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jun","modification":"2025-04-05T12:59:51.244Z","creation":"2019-03-26T22:30:25Z"},"accession":"S-EPMC3379427","cross_references":{"pubmed":["22719625"],"doi":["10.1107/S160053681202185X"]}}