Acta Crystallographica Section E (Oct 2010)

9-O-Ethylberberrubinium iodide monohydrate

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

DOI
https://doi.org/10.1107/S1600536810036664
Journal volume & issue
Vol. 66, no. 10
pp. o2585 – o2586

Abstract

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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), 2C21H20NO4+·2I−·H2O, 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.