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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.

ABSTRACT: 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.

SUBMITTER: Raja R

PROVIDER: S-EPMC4350745 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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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.

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

Acta crystallographica. Section E, Crystallographic communications 20150207 Pt 3

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 dim ...[more]

PMID: 25844224

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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.

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Ethyl 8''-chloro-1'-methyl-2,12''-dioxo-12''H-di-spiro-[indoline-3,2'-pyrrolidine- 3',6''-indolo[2,1-b]quinazoline]-4'-carboxyl-ate.

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Methyl (3S,3'R)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxyl-ate.

Project description:In the title compound, C(25)H(25)N(3)O(4), the central pyrrolidine ring and the two pyrrolidine rings adopt twisted conformations, whereas the piperidine ring in the octa-hydro-indolizine fused ring system adopts a chair conformation. The indoline ring systems are almost perpendicular with respect to the mean plane of the octa-hydro-indolizine ring system, making dihedral angles of 84.4?(5) and 79.4?(5)°. The acetate group attached to the octa-hydro-indolizine ring system assumes an extended conformation. In the crystal, N-H?O hydrogen bonds result in the formation of a helical C(7) chain running parallel to [101]. The crystal packing features C-H?O hydrogen bonds and C-H?? inter-actions.

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Crystal structure of ethyl (2S,2'R)-1'-benzyl-3-oxo-3H-di-spiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',11''-indeno[1,2-b]quinoxaline]-4'-carboxyl-ate.

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