Oishi Takeshi, Yamaguchi Yuu, Fukaya Keisuke, Sugai Tomoya, Watanabe Ami, Sato Takaaki, Chida Noritaka
School of Medicine, Keio University, Hiyoshi 4-1-1, Kohoku-ku, Yokohama 223-8521, Japan.
Department of Applied Chemistry, Faculty of Science and Technology, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522, Japan.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):8-11. doi: 10.1107/S2056989014026048.
In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclo-hexene and cyclo-hexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O-H⋯O hydrogen bonds with an R 2 (2)(26) graph-set motif connect the benzoate mol-ecules into an inversion dimer. The dimers are linked by a weak C-H⋯O inter-action into a tape structure along [01-1]. The benzene mol-ecule links the tapes through C-H⋯O and C-H⋯π inter-actions, forming a sheet parallel to (100).
在标题化合物C₃₆H₄₄O₁₀·C₆H₆中，二氧戊环采用信封式构象，与氢原子相连的碳原子作为翻盖，而环己烯环和环己烷环分别处于半椅式和椅式构象。在晶体中，一对具有R₂(2)(26)图形集 motif的O—H⋯O氢键将苯甲酸酯分子连接成一个反演二聚体。这些二聚体通过弱C—H⋯O相互作用沿[01 -1]连接成带状结构。苯分子通过C—H⋯O和C—H⋯π相互作用连接这些带，形成一个平行于(100)的片层。
