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1-Ethyl-4'-(1H-indol-3-ylcarbon-yl)-1'-methyl-2,2''-dioxodi-spiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbo-nitrile dimethyl sulfoxide monosolvate.

ABSTRACT: 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-oxo-indole substituent (in which the five-membered ring adopts a twisted conformation) as the flap. The dimethyl sulfoxide solvent mol-ecule 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 mol-ecule 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 inter-actions, forming R 2 (2)(10) ring motifs. The mol-ecules are further connected into a chain along the a-axis direction via N-H?O hydrogen bonds.

SUBMITTER: Inglebert SA 

PROVIDER: S-EPMC3793813 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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1-Ethyl-4'-(1H-indol-3-ylcarbon-yl)-1'-methyl-2,2''-dioxodi-spiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbo-nitrile dimethyl sulfoxide monosolvate.

Inglebert S Antony SA   Arun Yuvaraj Y   Sethusankar K K   Perumal Paramasivam T PT  

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

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-oxo-indole substituent (in which the five-membered ring adopts a twisted conformation) as the flap. The dimethyl sulfoxide solvent mol-ecule is disordered over two positions, with an occupancy factor ratio of 0.871 (4):0.129 (4). The solvent  ...[more]

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