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3-Hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-4-ium chloride dihydrate: (+)-vasicinol hydrochloride dihydrate from Peganum harmala L
The title compound, C(11)H(13)N(2)O(+)·Cl(−)·2H(2)O, 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...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968537/ https://www.ncbi.nlm.nih.gov/pubmed/21582144 http://dx.doi.org/10.1107/S1600536809003766 |
Sumario: | The title compound, C(11)H(13)N(2)O(+)·Cl(−)·2H(2)O, 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. |
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