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

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GEZEGEN H., Ordu G., Atioglu Z., Akkurt M., Hamouda H. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.82, ss.697-708, 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.697-708
• Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
• Erciyes 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 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.