TY - JOUR
T1 - 9-O-Ethylberberrubinium iodide monohydrate
AU - Grundt, Peter
AU - Pernat, Jennifer
AU - Krivogorsky, Bogdana
AU - Halverson, Melanie A.
AU - Berry, Steven M
PY - 2010/10
Y1 - 2010/10
N2 - 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.
AB - 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.
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U2 - 10.1107/S1600536810036664
DO - 10.1107/S1600536810036664
M3 - Article
C2 - 21587567
AN - SCOPUS:77957839330
SN - 1600-5368
VL - 66
SP - o2585-o2586
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 10
ER -