Synthesis, stereostructure and H-bonding patterns of a tris-THF compound

The synthesis and crystallog. anal. of a new tris-THF compd., obtained by chem. degrdn. of a penta-THF precursor, is reported. The mol. structure of the tris-THF compd. allows to definitively assess the stereoconfiguration of the parent penta-THF compd., that was known only partially. The tris-THF compd. crystallizes in the monoclinic space group C2/c with a = 21.621(8), b = 7.481(4), c = 30.801(9) Å, β = 94.08(3)°, Z = 8. The final refinement converged to R 1 = 0.0804 for 1,706 independent obsd. reflections having I > 2σ(I). The tris-THF compd. adopts in the solid state a flexuous and wavy conformation due to the cis-trans-trans configuration of the three THF rings and to intramol. H bonding. Mols. in the crystals form H-bonded chains that are wrapped around the crystallog. binary screw axes. The chains are also bonded to each other by H-bonding through and ring motifs. Graphical Abstr. The tris-THF compd. adopts in the solid state a flexuous and wavy conformation due to the cis-trans-trans configuration of the three THF rings and to intramol. H bonding. Mols. in the crystals form H-bonded chains that are wrapped around the crystallog. binary screw axes.