Crystal structure of (–)-(R,E)-3-(1,3-benzodioxol-5-yl)-5-[(4S,5R)-5-hy­droxy­methyl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-di­methyl­pent-4-enamide

Acta Crystallographica Section E: Crystallographic Communications

Ishii, K.¹  Oishi, T.² 

[1] Department of Applied Chemistry, Faculty of Science and Technology, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522, Japan;School of Medicine, Keio University, Hiyoshi 4-1-1, Kohoku-ku, Yokohama 223-8521, Japan

关键词: CRYSTAL STRUCTURE;    1,3-DIOXOLANE;    1,3-BENZODIOXOLE;    AMIDE;    HYDROXY GROUP;    HYDROGEN BOND;   

DOI  :  10.1107/S2056989018007132

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C20H27NO6, the amide moiety is essentially planar, with a maximum deviation of 0.073 (3) Å, and one of the N-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 intra­molecular O—H⋯O hydrogen bond supports the mol­ecular conformation, enclosing an S(11) graph-set motif. In the crystal, inter­molecular C—H⋯O hydrogen bonding links the mol­ecules into a tape running along the b axis. Furthermore, other weak C—H⋯O hydrogen bonds and a C—H⋯π inter­action connect the tapes into a sheet structure parallel to (100).

【 授权许可】

CC BY