Crystal structure and Hirshfeld surface analysis of 1-(furan-2-yl)-2-(thiophene-2-carbonyl)-3-(thiophen-2-yl)-2,3,3a,8a-tetrahydrocyclopenta[a]inden-8(1H)-one
Acta Crystallographica Section E: Crystallographic Communications, cilt.82, ss.697-701, 2026 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 82
- Basım Tarihi: 2026
- Doi Numarası: 10.1107/s2056989026005141
- Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.697-701
- Anahtar Kelimeler: chalcone derivatives, crystal structure, cyclopentane, furan ring, thiophene ring
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Sivas Cumhuriyet Üniversitesi Adresli: Evet
Özet
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⋯O hydrogen interactions, forming R22(10) ring motifs. The (1R,2S,3S,3aR,8aS) and (1S,2R,3R,3aS,8aR) enantiomers are also connected by further C - H⋯O interactions, forming ribbons propagating along the a-axis direction. In addition, C - H⋯π 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° 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⋯H (52.8%), C⋯H/H⋯C (26.1%) and O⋯H/H⋯O (14.8%) interactions.