Sakamoto Rei, Hijikata Daichi, Isozaki Katsuhiro, Yonezawa Noriyuki, Okamoto Akiko
Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology, Naka-machi, Koganei, Tokyo 184-8588, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 20;69(Pt 4):o557. doi: 10.1107/S1600536813007186. Print 2013 Apr 1.
The title molecule, C44H30O8, lies about a crystallographic inversion centre located at the centre of the central benzene ring. The benzene rings in the benzoyl and the terephthalate units make dihedral angles of 67.05 (7)° and 57.57 (7)°, respectively, with the naphthalene ring system. There is an intra-molecular C-H⋯O inter-action between the ketonic carbonyl O atom and an H atom on the naphthalene ring system. In the crystal, C-H⋯O inter-action of the benzene ring in the benzoyl group and weak C=O⋯π inter-action [O⋯centroid = 3.375 (2) Å] of the naphthalene ring with the O atom in the ketonic carbonyl group are observed. These inter-actions form layers parallel to the bc plane.
标题分子C44H30O8位于位于中心苯环中心的一个晶体学反演中心上。苯甲酰基和对苯二甲酸酯单元中的苯环与萘环体系分别形成67.05 (7)°和57.57 (7)°的二面角。在酮羰基O原子与萘环体系上的一个H原子之间存在分子内C-H⋯O相互作用。在晶体中，观察到苯甲酰基中苯环的C-H⋯O相互作用以及萘环与酮羰基中的O原子的弱C=O⋯π相互作用[O⋯质心 = 3.375 (2) Å]。这些相互作用形成平行于bc平面的层。
