Penthala Narsimha Reddy, Ponugoti Purushotham Rao, Parkin Sean, Crooks Peter A
Dept. of Pharm. Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA.
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3111. doi: 10.1107/S1600536812040731. Epub 2012 Oct 13.
In the title compound, C(25)H(26)N(2)O(3), the double bond connecting the aza-bicyclic and indole units has Z geometry. The compound was obtained as a racemate, and since the crystal is centrosymmetric it contains equal amounts of the S and R enanti-omers. However, the structure is disordered such that the asymmetric unit contains both enanti-omers in unequal amounts [refined occupancies 0.904 (2) and 0.096 (2)]. The dihedral angle between the benzene ring of the benzyl group and the mean plane of the indole ring is 76.07 (3) °. In the crystal, mol-ecules are linked by O-H⋯O(carbon-yl) hydrogen bonds into chains propagating in [110].
在标题化合物C₂₅H₂₆N₂O₃中,连接氮杂双环和吲哚单元的双键具有Z构型。该化合物以外消旋体形式获得,由于晶体具有中心对称性,它包含等量的S和R对映体。然而,结构是无序的,使得不对称单元包含不等量的两种对映体[精修占有率分别为0.904 (2)和0.096 (2)]。苄基的苯环与吲哚环的平均平面之间的二面角为76.07 (3)°。在晶体中,分子通过O—H⋯O(羰基)氢键连接成沿[110]方向延伸的链。