Mitsui Ryosuke, Nagasawa Atsushi, Watanabe Shoji, Okamoto Akiko, Yonezawa Noriyuki
Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology, 2-24-16 Naka-machi, Koganei, Tokyo 184-8588, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 20;66(Pt 4):o873. doi: 10.1107/S1600536810009463.
In the title compound, C(19)H(14)BrClO(3), the naphthalene ring system and the benzene ring make a dihedral angle of 77.36 (10)°. The conformation around the central C=O group is such that the C=O bond vector forms a larger angle to the plane of the naphthalene ring system than to the plane of the benzene ring, viz. 75.73 (15)° versus 2.33 (17)°. In the crystal structure, a π-π inter-action is formed between naphthalene ring systems, with a centroid-centroid distance of 3.8363 (14) Å and a lateral offset of 1.606 Å. Inter-molecular C-H⋯Br and C-H⋯O hydrogen bonds and a C-H⋯π contact are present in the crystal structure.
在标题化合物C(19)H(14)BrClO(3)中，萘环体系与苯环形成的二面角为77.36 (10)°。中心C=O基团周围的构象使得C=O键向量与萘环体系平面形成的角度大于与苯环平面形成的角度，即75.73 (15)°对2.33 (17)°。在晶体结构中，萘环体系之间形成了π-π相互作用，质心间距为3.8363 (14) Å，横向偏移为1.606 Å。晶体结构中存在分子间C-H⋯Br和C-H⋯O氢键以及C-H⋯π接触。
