Crystal structure and Hirshfeld surface analysis of a pyrrolo-thia-zine complex
In the title compound, diethyl 2,2-dioxo-4-(thio-phen-2-yl)-1-[(thio-phen-2-yl)meth-yl]-3,4,6,7,8,8a-hexa-hydro-1 -pyrrolo-[2,1- ][1,4]thia-zine-1,3-di-carboxyl-ate, C H NO S , the pyrrolo ring is in an envelope conformation while the thia-zine ring adopts a near chair conformation. The dihedral ang...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-08, Vol.77 (Pt 8), p.770-774 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | In the title compound, diethyl 2,2-dioxo-4-(thio-phen-2-yl)-1-[(thio-phen-2-yl)meth-yl]-3,4,6,7,8,8a-hexa-hydro-1
-pyrrolo-[2,1-
][1,4]thia-zine-1,3-di-carboxyl-ate, C
H
NO
S
, the pyrrolo ring is in an envelope conformation while the thia-zine ring adopts a near chair conformation. The dihedral angles between the thia-zine ring and the methyl-thienyl, thienyl and pyrrolo rings are 64.0 (2), 87.92 (7) and 5.6 (2)°, respectively. In the crystal, the mol-ecules are linked by weak C-H⋯O hydrogen bonds. A Hirshfeld surface analysis was performed to investigate the inter-molecular inter-actions. Disorder of the methyl-thienyl group with site occupancies of 0. 792 (3) and 0.208 (3) is observed. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989021006642 |