Oishi Takeshi, Yasushima Daichi, Yuasa Kihiro, 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. 2016 Feb 17;72(Pt 3):343-6. doi: 10.1107/S2056989016002474. eCollection 2016 Mar 1.
In the title compound, C10H14Cl3NO5, the five-membered dioxolane ring adopts an envelope conformation. The C atom at the flap, which is bonded to the hy-droxy-methyl substituent, deviates from the mean plane of other ring atoms by 0.357 (5) Å. There are two intra-molecular hydrogen bonds (O-H⋯N and N-H⋯O) between the hy-droxy and amino groups, so that O- and N-bound H atoms involved in these hydrogen bonds are each disordered with equal occupancies of 0.50. The methyl 2-methyl-prop-2-enoate substituent also shows a disordered structure over two sets of sites with refined occupancies of 0.482 (5) and 0.518 (5). In the crystal, mol-ecules are connected into a dimer by an O-H⋯O hydrogen bond. The dimers are further linked by N-H⋯O, C-H⋯N and C-H⋯O inter-actions, extending a sheet structure parallel to ([Formula: see text]01).
在标题化合物C₁₀H₁₄Cl₃NO₅中，五元二氧戊环呈信封构象。位于瓣上与羟甲基取代基相连的C原子偏离其他环原子的平均平面0.357 (5) Å。羟基和氨基之间存在两个分子内氢键（O—H⋯N和N—H⋯O），因此参与这些氢键的与O和N相连的H原子各自无序，占有率均为0.50。甲基2-甲基-2-烯酸酯取代基在两组位置上也呈现无序结构，精修占有率分别为0.482 (5) 和0.518 (5)。在晶体中，分子通过O—H⋯O氢键连接成二聚体。二聚体通过N—H⋯O、C—H⋯N和C—H⋯O相互作用进一步连接，扩展成平行于（[化学式：见正文]01）的片状结构。
