Grundt Peter, Pernat Jennifer, Krivogorsky Bogdana, Halverson Melanie A, Berry Steven M
Department of Chemistry and Biochemistry, University of Minnesota Duluth, 1039 University Dr., Duluth, MN 55812, USA.
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):o2585-6. doi: 10.1107/S1600536810036664.
9-eth-oxy-10-meth-oxy-5,6-dihydro-1,3-dioxolo[4,5-g]isoquinolino-[3,2-a]isoquin-olin-7-ium iodide monohydrate), 2C(21)H(20)NO(4) (+)·2I(-)·H(2)O, two independent mol-ecules pack in the unit cell, where interactions between the molecules are stabilized by weak inter-molecular π-π stacking inter-actions [centroid-centroid distances in the range 3.571 (4) to 3.815 (4)Å]. Inter-molecular C-H⋯O inter-actions 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.
9-乙氧基-10-甲氧基-5,6-二氢-1,3-二氧杂环戊烯并[4,5-g]异喹啉并[3,2-a]异喹啉鎓碘化物一水合物，2C(21)H(20)NO(4)(+)·2I(-)·H(2)O，两个独立分子堆积在晶胞中，分子间通过弱分子间π-π堆积相互作用得以稳定[质心-质心距离在3.571 (4)至3.815 (4)Å范围内]。还观察到分子间C-H⋯O相互作用。碘化物阴离子无序，占有率分别为0.94 (1):0.06 (1)和0.91 (1):0.09 (1)。阳离子分子结构呈平面状，二氢吡啶环导致有小的扭转。
