Molecular and Crystal Structure of Magnolol—C18H18O2

Magnolol, 2, 2′-dihydroxy-5, 5′-diallylbiphenyl (C₁₈H₁₈O₂) was isolated from the heartwood of Taiwan sassafras, Sassafras randaiense (Hay.) Rehd. (Lauraceae) and characterized by single crystal X-ray diffraction. It crystallized in monoclinic P 2₁/C. The cell parameters are a=10.905(3), b=8.834(4), c=16.103(9) Å, β=106.76°(3), z=4. The structure was solved by direct method. The dihedral angle between two benzene rings is about 45′ which seems to be the best arrangement for intra- and inter-molecular H-bondings. O … O distances are ～2.6 Å which indicate very strong H-bonding. The solid structure can be discribed as a helix chain of molecules connected through H-bonds parallel to b-axis.