Molecular and Crystal Structure of Magnolol—C 18 H 18 O 2

Magnolol, 2, 2′‐dihydroxy‐5, 5′‐diallylbiphenyl (C 18 H 18 O 2 ) 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 2 1 /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.