Crystal structure and Hirshfeld surface analysis of 1-(furan-2-yl)-2-(thiophene-2-carbonyl)-3-(thiophen-2-yl)-2,3,3a,8a-tetrahydrocyclopenta[<i>a</i>] inden-8(1<i>H</i>)-one
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.82, pp.697-708, 2026 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 82
- Publication Date: 2026
- Doi Number: 10.1107/s2056989026005141
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.697-708
- Open Archive Collection: AVESIS Open Access Collection
- Erciyes University Affiliated: Yes
Abstract
In the title compound, C25H18O3S2, the terminal cyclopentane ring adopts an envelope conformation. In the racemic crystal, pairs of enantiomers are linked by C-H center dot center dot center dot O hydrogen interactions, forming R-2(2)(10) ring motifs. The (1R,2S,3S,3aR,8aS) and (1S,2R,3R,3aS,8aR) enantiomers are also connected by further C-H center dot center dot center dot O interactions, forming ribbons propagating along the a-axis direction. In addition, C-H center dot center dot center dot pi interactions between these ribbons form layers parallel to the (001) plane. Crystal cohesion is ensured by van der Waals interactions between layers. The furan ring and the two thiophene rings are disordered by a 180 degrees rotation, with ratios of 0.728 (15):0.272 (15), 0.972 (3):0.028 (3) and 0.791 (3):0.209 (3), respectively. According to Hirshfeld surface analysis, the most important contributions for the crystal packing are H center dot center dot center dot H (52.8%), C center dot center dot center dot H/H center dot center dot center dot C (26.1%) and O center dot center dot center dot H/H center dot center dot center dot O (14.8%) interactions.