Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex

Abstract

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, C22H28NO6S3, 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

Keywords

• crystal structure
• pyrrolo derivatives
• thiazine
• hydrogen bonding
• hirshfeld surface analysis
• two-dimensional fingerprint plots