Baktır Zeliha, Akkurt Mehmet, Kandinska Meglena I, Bogdanov Milen G, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 6;65(Pt 7):o1461-2. doi: 10.1107/S160053680902025X.
The title compound, C(33)H(29)N(3)O(5), was synthesized by the reaction of racemic trans-2-benzyl-3-(2-fur-yl)-1-oxo-1,2,3,4-tetra-hydro-isoquinoline-4-carboxylic acid, l-tryptophan methyl ester and diisopropylcarbodiimide in dry dichloro-methane. The furan ring is disordered over two positions in a 0.859 (14):0.141 (14) ratio. In the 1,2,3,4-tetra-hydro-iso-quin-oline ring system, the heterocyclic ring is not planar, with puckering parameters Q(T) = 0.448 (2) Å, θ = 64.9 (3) and ϕ = 268.3 (3)°. The crystal is extended into a three-dimensional supra-molecular architecture through inter-molecular N-H⋯O hydrogen bonds and C-H⋯π inter-actions. The absolute structure was assigned by reference to the chiral starting material.
标题化合物C(33)H(29)N(3)O(5)是通过外消旋反式-2-苄基-3-(2-呋喃基)-1-氧代-1,2,3,4-四氢异喹啉-4-羧酸、L-色氨酸甲酯和二异丙基碳二亚胺在干燥二氯甲烷中反应合成的。呋喃环在两个位置上无序，比例为0.859 (14):0.141 (14)。在1,2,3,4-四氢异喹啉环体系中，杂环不是平面的，褶皱参数Q(T)=0.448 (2) Å，θ=64.9 (3)，ϕ=268.3 (3)°。晶体通过分子间N-H⋯O氢键和C-H⋯π相互作用扩展成三维超分子结构。通过参考手性起始原料确定了绝对构型。
