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Crystal structure of ethyl 1',5-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

ABSTRACT: The title compound, C23H22N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the Cspiro-Cspiro bond, in both mol-ecules. In mol-ecule A, the mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59?(10) and 84.51?(11)°, respectively, and to one another by 72.69?(7)°. The corresponding angles in mol-ecule B are 87.15?(10), 84.58?(10) and 72.07?(7)°, respectively. In the crystal, the A and B mol-ecules are linked to one another by two N-H?O hydrogen bonds, forming a dimer. These dimers are linked via C-H?O hydrogen bonds, forming a three-dimensional structure.

SUBMITTER: Raja R

PROVIDER: S-EPMC4350727 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 1',5-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Raja R R Govindaraj J J Suresh M M Raghunathan R R SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150207 Pt 3

The title compound, C23H22N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the Cspiro-Cspiro bond, in both mol-ecules. In mol-ecule A, the mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in mol ...[more]

PMID: 25844222

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Crystal structure of ethyl 1',1''-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thio-phene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C23H22N2O4S, the pyrrolidine ring has an envelope conformation with the spiro C atom, shared with the indoline ring system, as the flap. The mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 88.81 (8) and 79.48 (8)°, respectively, and to each other by 68.12 (5)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains propagating along [001].

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rac-(4R,17S,18R,26R)-Ethyl 4'-methoxy-carbonyl-5''-(4-methoxy-phen-yl)-1'-methyl-2,3''-dioxo-2'',3''-dihydro-indoline-3-spiro-2'-pyrrolidine-3'-spiro-2''-thia-zolo[3,2-a]pyrimidine-6''-carboxyl-ate.

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| S-EPMC4350756 | biostudies-literature

Methyl 3'-benzyl-4'-(2-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

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| S-EPMC3772491 | biostudies-other

Crystal structure of ethyl 5''-fluoro-2'',3-dioxo-6',7',8',8a'-tetra-hydro-2'H,3H,5'H-di-spiro-[benzo[b]thio-phene-2,1'-indol-izine-3',3''-indoline]-2'-carboxyl-ate.

Project description:In the title compound, C25H23FN2O4S, the fused piperidine ring of the octa-hydro-indolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N-C(spiro) bond. The mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 83.1 (1) and 84.9 (1)°, respectively, and to each other by 29.37 (17)°. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯O hydrogen bonds, forming slabs lying parallel to (100). The packing between the slabs features a short [2.734 (2) Å] F⋯F contact.

| S-EPMC4350745 | biostudies-literature

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