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Crystal structure of ethyl 2′′,3-dioxo-7′,7a’-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate
In the title compound, C(23)H(20)N(2)O(4)S(2), the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring system, as the flap. The thiazole ring has a twisted conformation on the S—C bond, where the C atom is that closest to methine C a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350756/ https://www.ncbi.nlm.nih.gov/pubmed/25844220 http://dx.doi.org/10.1107/S2056989015002030 |
Sumario: | In the title compound, C(23)H(20)N(2)O(4)S(2), the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring system, as the flap. The thiazole ring has a twisted conformation on the S—C bond, where the C atom is that closest to methine C atom. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the central pyrrolidine ring by 82.75 (8) and 80.03 (8)°, respectively, and to each other by 61.49 (6)°. In the crystal, molecules 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 and C—H⋯N hydrogen bonds, forming a three-dimensional structure. The ethoxycarbonyl group is disordered over two orientations, with an occupancy ratio of 0.717 (12):0.283 (12). |
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