10.1021/acs.joc.5b01380.s001 Niall T. Coogan Niall T. Coogan Michael A. Chimes Michael A. Chimes James Raftery James Raftery Pavle Mocilac Pavle Mocilac Melissa A. Denecke Melissa A. Denecke Regioselective Synthesis of V‑Shaped Bistriazinyl-phenanthrolines American Chemical Society 2015 hydrazono isomer Described Regioselective PhBTP solubility intramolecular Molecular crystal structures regioselective access oxime derivative isomers method synthesis phenyl bi reagent chloro bromo PhBTPhen ligand future supramolecular actinide complexing systems XPhBTPhen precursor BTPhen yield Synthesi 2015-09-04 00:00:00 Dataset https://acs.figshare.com/articles/dataset/Regioselective_Synthesis_of_V_Shaped_Bistriazinyl_phenanthrolines/2134678 A new, regioselective synthesis of V-shaped 2,9-bis­(6-(4-halophenyl)-1,2,4-triazin-3-yl)-1,10-phenanthrolines (4XPhBTPhen) ligands was developed, creating access to a simple and reliable synthesis of precursors for future supramolecular actinide complexing systems. Described is a reactant-directed regioselective synthetic method, which was found to be high yielding and reliable and yields exclusively 6,6′-phenyl BTPhen derivatives (including 4-chloro and 4-bromo) in five simple steps. Molecular and crystal structures of PhBTP and PhBTPhen products are fully determined and both were found to be in space group <i>C</i>2/<i>c</i>. Additionally, molecular and crystal structures of <i>Z</i> and <i>E</i> isomers of 2-hydrazono-2-phenylacetaldehyde oxime, a reagent in the synthetic route, reveal existence of strong intramolecular N–H···O hydrogen bonding in the <i>Z</i> isomer explaining its lower solubility in water.