Structure of ibogaine
Acta Crystallographica Section C Crystal Structure Communications November 15, 1992 M. Soriano-García 2 citations
The crystal structure of C20H26N2O was determined. It crystallizes in the orthorhombic space group P212121 with unit cell dimensions a=10.485, b=16.892, c=19.750 Å and eight molecules per unit cell. The structure refined to an R factor of 0.073. In the two crystallographically independent molecules, the seven-membered ring adopts a boat conformation. The mean plane through atoms C(5)-N(6)-C(19)-C(2) of the central isoquinuclidine tricyclic axis and the indole ring plane are inclined at 114.0° and 85.6° in molecules A and B, respectively. The structure is stabilized by an intramolecular hydrogen bond and van der Waals forces.