Sonar Vijayakumar N, Parkin Sean, Crooks Peter A
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, Lexington, KY 40536, USA.
Acta Crystallogr C. 2004 Sep;60(Pt 9):o659-61. doi: 10.1107/S0108270104015847. Epub 2004 Aug 11.
The title compounds, C22H20N2O3S, (I), and C22H22N2O3S, (II), crystallize in space groups P-1 and P2(1)2(1)2(1), respectively. The indole rings are planar and the benzene ring of the phenylsulfonyl group makes a dihedral angle with the mean plane of the indole ring of 90.2 (2) degrees in (I) and 94.0 (2) degrees in (II). In both molecules, the double bond connecting the aza-bicyclic and indole moieties has a Z geometry. Compound (II) was obtained as an enantiomerically pure crystal and has the 3S configuration.
标题化合物C22H20N2O3S(I)和C22H22N2O3S(II)分别结晶于空间群P-1和P2(1)2(1)2(1)中。吲哚环是平面的,在(I)中苯磺酰基的苯环与吲哚环的平均平面形成的二面角为90.2(2)°,在(II)中为94.0(2)°。在两个分子中,连接氮杂双环和吲哚部分的双键具有Z构型。化合物(II)以对映体纯晶体形式获得,具有3S构型。