TETRAHEDRAL ANGLES OF FIVE MEMBERED RING IMINOCYCLITOLS WITH RIBITOL STEREOCHEMISTRY BEYOND THE DIHEDRAL ANGLES

Relationships between vicinal angles, angles result from vicinal coupling constant (3)J(HH)[Hz], and tetrahedral angles of five membered ring iminocyclitols with ribitol stereochemistry are demonstrate with polyhedron and 3-sphere methods. Tetrahedral angles phi[deg] and internal angles gamma[deg] are calculated from C-13-NMR, or H-1-NMR chemical shift delta[ppm] in case of heteroatom, with energy-graph theory approach. The vicinal coupling constant can be calculated from one atom of carbon chemical shift delta(Cn)[ppm], and also the corresponding dihedral angle under 3-sphere approach.