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-1H-pyrrolo-[2,1-c][1,4]thia-zine-1,3-di-carboxyl-ate, C(22)H(28)NO(6)S(3), 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 64.0â (2), 87.92â (7) and 5.6â (2)°, respectively. In the crystal, the mol-ecules are linked by weak C-Hâ¯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. 792â (3) and 0.208â (3) is observed.
Crystal structure and Hirshfeld surface analysis of a pyrrolo-thia-zine complex.
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作者:Sribala R, Srinivasan N, Rajalaksmi P, Indumathi S, Krishnakumar R V
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2021 | 起止号: | 2021 Jul 2; 77(Pt 8):770-774 |
| doi: | 10.1107/S2056989021006642 | ||
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