9-O-Ethylberberrubinium iodide monohydrate

Peter Grundt, Jennifer Pernat, Bogdana Krivogorsky, Melanie A. Halverson, Steven M Berry

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


In the title compound (systematic name: 9-ethoxy-10-methoxy-5,6-dihydro-1, 3-dioxolo[4,5-g]isoquinolino-[3,2-a]isoquin-olin-7-ium iodide monohydrate), 2C21H20NO4+·2I -·H2O, two independent molecules pack in the unit cell, where interactions between the molecules are stabilized by weak inter-molecular π-π stacking interactions [centroid-centroid distances in the range 3.571 (4) to 3.815 (4)Å]. Inter-molecular 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.

Original languageEnglish (US)
Pages (from-to)o2585-o2586
JournalActa Crystallographica Section E: Structure Reports Online
Issue number10
StatePublished - Oct 2010


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