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Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate
In the title compound, C(34)H(35)NO(7)S, the acenaphthylene unit is essentially planar (r.m.s. deviation = 0.0335 Å). The pyrrolothiazole ring system is folded about the bridging N—C bond; the thiazolidine and pyrrolidine rings adopt S- and C-envelope conformations, respectively, with a ‘butterf...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414958/ https://www.ncbi.nlm.nih.gov/pubmed/22904945 http://dx.doi.org/10.1107/S1600536812032291 |
| _version_ | 1782240288067026944 |
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| author | Jagadeesan, G. Sethusankar, K. Prasanna, R. Raghunathan, R. |
| author_facet | Jagadeesan, G. Sethusankar, K. Prasanna, R. Raghunathan, R. |
| author_sort | Jagadeesan, G. |
| collection | PubMed |
| description | In the title compound, C(34)H(35)NO(7)S, the acenaphthylene unit is essentially planar (r.m.s. deviation = 0.0335 Å). The pyrrolothiazole ring system is folded about the bridging N—C bond; the thiazolidine and pyrrolidine rings adopt S- and C-envelope conformations, respectively, with a ‘butterfly’ angle between the mean planes of 51.38 (10)°. The dioxolane and tetrahydrofuran rings adopt O- and a C-envelope conformations, respectively, with a ‘butterfly’ angle between the mean planes of 57.12 (10)°. Two C atoms are each disordered over two positions with site-occupancy factors of 0.450 (7) and 0.550 (7). The crystal packing is stabilized by C—H⋯O interactions, generating an R (2) (2)(14) graph-set ring motif. |
| format | Online Article Text |
| id | pubmed-3414958 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-34149582012-08-17 Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate Jagadeesan, G. Sethusankar, K. Prasanna, R. Raghunathan, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(34)H(35)NO(7)S, the acenaphthylene unit is essentially planar (r.m.s. deviation = 0.0335 Å). The pyrrolothiazole ring system is folded about the bridging N—C bond; the thiazolidine and pyrrolidine rings adopt S- and C-envelope conformations, respectively, with a ‘butterfly’ angle between the mean planes of 51.38 (10)°. The dioxolane and tetrahydrofuran rings adopt O- and a C-envelope conformations, respectively, with a ‘butterfly’ angle between the mean planes of 57.12 (10)°. Two C atoms are each disordered over two positions with site-occupancy factors of 0.450 (7) and 0.550 (7). The crystal packing is stabilized by C—H⋯O interactions, generating an R (2) (2)(14) graph-set ring motif. International Union of Crystallography 2012-07-21 /pmc/articles/PMC3414958/ /pubmed/22904945 http://dx.doi.org/10.1107/S1600536812032291 Text en © Jagadeesan et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Jagadeesan, G. Sethusankar, K. Prasanna, R. Raghunathan, R. Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title | Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title_full | Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title_fullStr | Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title_full_unstemmed | Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title_short | Ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′H,2H-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| title_sort | ethyl 7′-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5′,6′,7′,7a’-tetrahydro-1′h,2h-spiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole]-6′-carboxylate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414958/ https://www.ncbi.nlm.nih.gov/pubmed/22904945 http://dx.doi.org/10.1107/S1600536812032291 |
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