To promote the development of boron-containing purine analogues that exist in planar, non- zwitterionic dominant structural form in aqueous solution, rigorous solution and solid state structural analyses of 1-hydroxy-1 H-2, 3, 1-benzoxazaborine (1), 1, 2-dihydro-1-hydroxy-2, 3, 1-benzodiazaborine (2), and related 2, 3, 1-benzodiheteraborines were undertaken. With the aid of isotope-enriched compounds, a multisolvent 1H, 13C, 11B, and 15N NMR ...