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9-O-Ethyl­berberrubinium iodide monohydrate

In the title compound (systematic name: 9-eth­oxy-10-meth­oxy-5,6-dihydro-1,3-dioxolo[4,5-g]isoquinolino­[3,2-a]isoquin­olin-7-ium iodide monohydrate), 2C(21)H(20)NO(4) (+)·2I(−)·H(2)O, two independent mol­ecules pack in the unit cell, where interactions between the molecules are stabilized by weak...

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Detalles Bibliográficos
Autores principales: Grundt, Peter, Pernat, Jennifer, Krivogorsky, Bogdana, Halverson, Melanie A., Berry, Steven M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983369/
https://www.ncbi.nlm.nih.gov/pubmed/21587567
http://dx.doi.org/10.1107/S1600536810036664
Descripción
Sumario:In the title compound (systematic name: 9-eth­oxy-10-meth­oxy-5,6-dihydro-1,3-dioxolo[4,5-g]isoquinolino­[3,2-a]isoquin­olin-7-ium iodide monohydrate), 2C(21)H(20)NO(4) (+)·2I(−)·H(2)O, two independent mol­ecules pack in the unit cell, where interactions between the molecules are stabilized by weak inter­molecular π–π stacking inter­actions [centroid–centroid distances in the range 3.571 (4) to 3.815 (4)Å]. Inter­molecular C—H⋯O inter­actions are also observed. The iodide anions are disordered with occupancy ratios of 0.94 (1):0.06 (1) and 0.91 (1):0.09 (1). The cationic molecule is planar in structure with a small torsion resulting from the dihydropyridine ring.