Oishi Takeshi, Ishii Koki, Ishibashi Mizuki, 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. 2018 May 18;74(Pt 6):825-828. doi: 10.1107/S2056989018007132. eCollection 2018 Jun 1.
In the title compound, CHNO, the amide moiety is essentially planar, with a maximum deviation of 0.073 (3) Å, and one of the -methyl groups shows rotational disorder. The five-membered 1,3-dioxolane ring adopts an envelope form, with the C atom bonded to the olefin side chain as the flap, which deviates from the mean plane through the other four atoms by 0.564 (7) Å. The 1,3-dioxole ring fused to the benzene ring adopts a flattened envelope form, with the C atom between the two O atoms as the flap, which deviates from the mean plane through the other four atoms by 0.215 (7) Å. The C-C=C-C olefin moiety is essentially planar and makes a dihedral angle of 87.1 (3)° with the benzene ring. An intra-molecular O-H⋯O hydrogen bond supports the mol-ecular conformation, enclosing an (11) graph-set motif. In the crystal, inter-molecular C-H⋯O hydrogen bonding links the mol-ecules into a tape running along the axis. Furthermore, other weak C-H⋯O hydrogen bonds and a C-H⋯π inter-action connect the tapes into a sheet structure parallel to (100).
在标题化合物CHNO中，酰胺部分基本呈平面状，最大偏差为0.073（3）Å，其中一个甲基存在旋转无序。五元1,3 - 二氧戊环采用信封式构象，与烯烃侧链相连的C原子为翻盖，其偏离通过其他四个原子的平均平面0.564（7）Å。与苯环稠合的1,3 - 二氧杂环戊烯环采用扁平信封式构象，两个O原子之间的C原子为翻盖，其偏离通过其他四个原子的平均平面0.215（7）Å。C - C = C - C烯烃部分基本呈平面状，与苯环形成的二面角为87.1（3）°。分子内O - H⋯O氢键支持分子构象，形成（11）图集 motif。在晶体中，分子间C - H⋯O氢键将分子连接成沿 轴延伸的链。此外，其他弱C - H⋯O氢键和C - H⋯π相互作用将这些链连接成平行于（100）的片状结构。
