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Crystal structure and Hirshfeld surface analysis of a pyrrolo-thia-zine complex.

ABSTRACT: 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, C₂₂H₂₈NO₆S₃, 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.

SUBMITTER: Sribala R

PROVIDER: S-EPMC8340966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl-thia-zolidin-2-iminium bromide.

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Crystal structure and Hirshfeld surface analysis of two organic salts based on 1,3,4-thia-diazole derivatives.

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m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis.

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Crystal structure and Hirshfeld surface analysis of pulcherrin J.

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