The crystal structure of licarin-B, (C20H20O4), a component of the seeds of Myristica fragrans.
The crystal structure of licarin-B, a component of Myristicae Semen was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from the mixture of hexane and ether, is monoclinic with a = 12.740 (1), b = 7.219(1), c = 9.284(1) A, beta = 94.75(1) degrees, Dx = 1.26, Dm = 1.27 g/cm3, space group P2l, and Z = 2. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.040 for 1532 independent reflections ¿F > or = 3 sigma (F)¿. The compound is a dimeric phenylpropanoid, and belongs to the neolignan analogues. The molecules are arranged along with the screw axis. The intermolecular contacts appear to be the normal van der Waals' forces.
D001572:Benzofurans / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004149:Dioxoles / Q000737:chemistry*; D017705:Lignans; D008968:Molecular Conformation; D010946:Plants, Medicinal / Q000737:chemistry*; D012639:Seeds / Q000737:chemistry; D017365:Spices / Q000032:analysis*