title: 3-Hydr-oxy-1,2,3,9-tetra-hydro-pyrrolo[2,1-b]quinazolin-4-ium chloride dihydrate: (+)-vasicinol hydro-chloride dihydrate from Peganum harmala L.
abstract: The title compound, C(11)H(13)N(2)O(+)·Cl(-)·2H(2)O, the dihydrate of (+)-vasicinol hydro-chloride, 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, mol-ecules stack along the a axis, connected to one another via inter-molecular 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 penta-gonal-shaped R(5) (4)(10) rings. The overall effect is a ribbon-like arrangement running parallel to the a axis.
authors.forename: Amir Muhammad
authors.initials: AM
authors.lastname: Khan
authors.forename: Ghulam
authors.initials: G
authors.lastname: Abbas
authors.forename: Rizwana Aleem
authors.initials: RA
authors.lastname: Qureshi
authors.forename: Uzma
authors.initials: U
authors.lastname: Khan
authors.forename: Muhammad Asad
authors.initials: MA
authors.lastname: Ghufran
authors.forename: Helen
authors.initials: H
authors.lastname: Stoeckli-Evans