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Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex
In the title compound, diethyl 2,2-dioxo-4-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate, C(22)H(28)NO(6)S(3), the pyrrolo ring is in an envelope conformation while the thiazine ring adopts a near chair conformation. The di...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340966/ https://www.ncbi.nlm.nih.gov/pubmed/34422298 http://dx.doi.org/10.1107/S2056989021006642 |
| Sumario: | In the title compound, diethyl 2,2-dioxo-4-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate, C(22)H(28)NO(6)S(3), the pyrrolo ring is in an envelope conformation while the thiazine ring adopts a near chair conformation. The dihedral angles between the thiazine ring and the methylthienyl, thienyl and pyrrolo rings are 64.0 (2), 87.92 (7) and 5.6 (2)°, respectively. In the crystal, the molecules are linked by weak C—H⋯O hydrogen bonds. A Hirshfeld surface analysis was performed to investigate the intermolecular interactions. Disorder of the methylthienyl group with site occupancies of 0. 792 (3) and 0.208 (3) is observed |
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