Laamari Yassine, Ait Itto Moulay Youssef, Riahi Abdelkhalek, Chevreux Sylviane, Auhmani Aziz, Ketatni El Mostafa
Laboratory of Organic Synthesis and Physico-Molecular Chemistry, Department of Chemistry, Faculty of Sciences Semlalia, BP 2390, Marrakech 40001, Morocco.
Institute of Molecular Chemistry of Reims, CNRS UMR 7312 Bat. Europol'Agro, Moulin of the Housse UFR Sciences, BP 1039-51687 Reims Cedex 2, France.
Acta Crystallogr E Crystallogr Commun. 2018 Apr 27;74(Pt 5):728-730. doi: 10.1107/S2056989018005510. eCollection 2018 May 1.
The title compound, CHO, was prepared by a direct acetyl-ation reaction of naturally occurring totarolenone. The mol-ecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a screw-boat conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming sheets parallel to the plane. The carbonyl O atoms and the C atom at the 6-position of the cyclo-hexene ring are each disordered over two sets of sites with major occupancy components of 0.63 (7) and 0.793 (14), respectively.
标题化合物CHO是通过天然存在的托塔罗烯酮的直接乙酰化反应制备的。该分子含有三个稠环，呈现出不同的构象。中心环具有半椅式构象，而非芳香性的氧代取代环具有扭曲船式构象。在晶体中，分子通过C-H⋯O氢键和C-H⋯π相互作用相连，形成平行于 平面的片层。环己烯环6位的羰基O原子和C原子各自在两组位置上无序，主要占据组分分别为0.63 (7)和0.793 (14)。
