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
Hauptverfasser: Sribala, R, Srinivasan, N, Rajalaksmi, P, Indumathi, S, Krishnakumar, R V
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Sprache:eng
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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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989021006642