May Nóra Veronika, Gál Gyula Tamás, Rapi Zsolt, Bakó Péter
Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, H-1519 Budapest, POB 206, Hungary.
Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, H-1521 Budapest, POB 91, Hungary.
Acta Crystallogr E Crystallogr Commun. 2016 Jan 27;72(Pt 2):257-60. doi: 10.1107/S2056989016001432. eCollection 2016 Feb 1.
In the racemic title compound, C24H25NO9, the dihedral angle between the planes of the two benzene-ring systems is 80.16 (6)°, while the side-chain conformation is stabilized by a methyl-ene-carboxyl C-H⋯O hydrogen bond. Weak inter-molecular C-H⋯O hydrogen bonds form inversion dimers [graph set R 2 (2)(16)] which are linked into chains extending along a. Further C-H⋯O hydrogen bonding extends the structure along b through cyclic R 2 (2)(10) motifs. Although no π-π aromatic ring inter-actions are present in the structure, C-H⋯π ring inter-actions across c generate an overall three-dimensional supra-molecular structure.
在消旋标题化合物C₂₄H₂₅NO₉中，两个苯环体系平面之间的二面角为80.16 (6)°，而侧链构象通过亚甲基-羧基C-H⋯O氢键得以稳定。弱分子间C-H⋯O氢键形成反演二聚体[图形集R ₂(2)(16)]，这些二聚体连接成沿a方向延伸的链。进一步的C-H⋯O氢键通过环状R ₂(2)(10)基序沿b方向扩展结构。尽管该结构中不存在π-π芳香环相互作用，但跨c方向的C-H⋯π环相互作用产生了整体的三维超分子结构。
