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, C23H20N2O4S2, 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...
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Published in | Acta crystallographica. Section E, Crystallographic communications Vol. 71; no. 3; pp. o148 - o149 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
International Union of Crystallography
01.03.2015
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Abstract | In the title compound, C23H20N2O4S2, 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 R22(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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AbstractList | In the title compound, C23H20N2O4S2, 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 R22(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). |
Author | R. Raghunathan M. Suresh M. P. Savithri A. SubbiahPandi R. Raja |
Author_xml | – sequence: 1 fullname: M. P. Savithri organization: Department of Physics, Queen Mary's College (Autonomous), Chennai 600 004, India – sequence: 2 fullname: M. Suresh organization: Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India – sequence: 3 fullname: R. Raghunathan organization: Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India – sequence: 4 fullname: R. Raja organization: Department of Physics, Presidency College (Autonomous), Chennai 600 005, India – sequence: 5 fullname: A. SubbiahPandi organization: Department of Physics, Presidency College (Autonomous), Chennai 600 005, India |
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Snippet | In the title compound, C23H20N2O4S2, the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring... |
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SubjectTerms | benzothiophene crystal structure dispiro hydrogen bonds indoline inversion dimers pyrrolidine thiazole |
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Title | 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 |
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