首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >1-Ethyl-4′-(1H-indol-3-ylcarbon­yl)-1′-methyl-22′′-dioxodi­spiro­indoline-32′-pyrrolidine-3′3′′-indoline-4′-carbo­nitrile dimethyl sulfoxide monosolvate
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1-Ethyl-4′-(1H-indol-3-ylcarbon­yl)-1′-methyl-22′′-dioxodi­spiro­indoline-32′-pyrrolidine-3′3′′-indoline-4′-carbo­nitrile dimethyl sulfoxide monosolvate

机译:1-乙基-4-(1H-吲哚-3-基羰基)-1-甲基-22-二氧二螺并吲哚啉-32-吡咯烷-33-吲哚啉 -4甲腈二甲亚砜单溶剂化物

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摘要

In the title compound, C31H25N5O3·C2H6OS, the three indole/indoline units are all essentially planar with maximum deviations of 0.0172 (3), 0.053 (2) and 0.07 (2) Å. The pyrrolidine ring adopts an envelope conformation with the C atoms bearing the 1-ethyl-2-oxo­indole substituent (in which the five-membered ring adopts a twisted conformation) as the flap. The dimethyl sulfoxide solvent mol­ecule is disordered over two positions, with an occupancy factor ratio of 0.871 (4):0.129 (4). The solvent components are linked to the heterocyclic mol­ecule via C—H⋯O and C—H⋯S hydrogen bonds. In the crystal, the solvent components are linked to the heterocyclic molecule via C—H⋯O and C—H⋯S inter­actions, forming R 2 2(10) ring motifs. The mol­ecules are further connected into a chain along the a-axis direction via N—H⋯O hydrogen bonds.
机译:在标题化合物C31H25N5O3·C2H6OS中,三个吲哚/二氢吲哚单元基本上都是平面的,最大偏差为0.0172(3),0.053(2)和0.07(2)Å。吡咯烷环采用带有1-乙基-2-氧代吲哚取代基(其中的五元环采用扭曲构型)的C原子作为皮瓣的包络构象。二甲基亚砜溶剂分子在两个位置上无序,占据因子比为0.871(4):0.129(4)。溶剂组分通过CH 3 O和CH 3 S氢键连接至杂环分子。在晶体中,溶剂成分通过CH = O和CH = S相互作用与杂环分子相连,形成R 2 2 (10)环图案。所述分子还通过NH 3 H氢键沿a轴方向连接成链。

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