Synthesis and structure of (7a RS )-4-chloro-6-(4-methylphenyl)-6,7,7a,8-tetrahydro-5 H -indeno5,6- b furan-5-one, a fused-ring system arising from a new variant of the IMDAV reaction

Key Points

The crystal structure showcases hydrogen bonds forming two-dimensional networks, enhancing stability.
Key interactions include H⋯H and H⋯O bonds, which significantly contribute to the overall crystal packing.
Asymmetric unit consists of two distinct molecules with unique conformational characteristics.
Hirshfeld surface analysis identifies the dominant contributions to the molecular interactions within the crystal.

Abstract

The asymmetric unit of the title com-pound, C17H14ClNO2, contains two mol-ecules, a and b, where the hydro-benzene and pyrrole rings are in screw-boat and half-chair conformations, respectively. In the crystal, C-H⋯O and C-H⋯Cl hy-dro-gen bonds link the mol-ecules into two-dimensional networks, enclosing R 3 3(19), R 2 2(18) and R 2 2(14) ring motifs. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H⋯H (41.4 and 41.5% for mol-ecules a and b, respectively), H⋯C/C⋯H (18.1 and 20.2%), H⋯O/O⋯H (16.0 and 13.4%) and H⋯Cl/Cl⋯H (13.4 and 11.9%) inter-actions.

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Cite This Study

Alekseeva et al. (Fri,) studied this question.

synapsesocial.com/papers/69a75a9dc6e9836116a20a7a https://doi.org/https://doi.org/10.1107/s2056989026000629

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