A. Khan, G. Abbas, R. Qureshi
Feb 6, 2009
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Journal
Acta Crystallographica Section E: Structure Reports Online
Abstract
The title compound, C11H13N2O+·Cl−·2H2O, the dihydrate of (+)-vasicinol hydrochloride, is a pyrrolidinoquinazoline alkaloid. It was isolated from the ethyl acetate fraction of the leaves of Peganum harmala L. The pyrrolidine ring has an envelope conformation with the C atom at position 2 acting as the flap and the C atom at position 3, carrying the hydroxyl substituent, has an S configuration. The absolute configuration was determined as a result of the anomalous scattering of the Cl atom. In the crystal structure, molecules stack along the a axis, connected to one another via intermolecular O—H⋯Cl and N—H⋯Cl hydrogen bonds, forming approximately triangular-shaped R 2 1(7) rings, and O—H⋯Cl and O—H⋯O hydrogen bonds, forming pentagonal-shaped R 5 4(10) rings. The overall effect is a ribbon-like arrangement running parallel to the a axis.