3-Acetyl-2-fluoro-6H-benzo[c]chromen-6-one

被引:2
|
作者
Ishikawa, Yoshinobu [1 ]
Suzuki, Takafumi [1 ]
Yoshida, Nanako [1 ]
机构
[1] Univ Shizuoka, Sch Pharmaceut Sci, Suruga Ku, 52-1 Yada, Shizuoka 4228526, Japan
基金
日本学术振兴会;
关键词
single-crystal X-ray study; T= 100 K; mean sigma(C-C) = 0.003 A(degrees); R factor = 0.047; wR factor = 0.137; data-to-parameter ratio = 15.0;
D O I
10.1107/S1600536814005959
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C15H9FO3, was obtained in a one-pot synthesis by Suzuki-Miyaura cross-coupling and nucleophilic substitution reaction of 4′-chloro-2′,5′-difluoroacetophenone with o-(methoxycarbonyl)phenylboronic acid. The asymmetric unit contains two crystallographically independent molecules related by a non-crystallographic inversion centre. There are face-to-face stacking interactions between the aromatic rings of the benzoate and acetophenone units of the symmetry-independent molecules [centroid-centroid distances = 3.870(3) and 3.986(3)Å]. In the crystal, molecules are further assembled via stacking interactions along the a-axis direction. One of the molecules interacts with its inversion equivalent [centroid-centroid distance between the aromatic rings of the benzoate and acetophenone units = 3.932(3)Å], and the other interacts with its twofold axis equivalent [centroid-centroid distance between the aromatic rings of acetophenone units = 3.634(3)Å].
引用
收藏
页码:O470 / +
页数:15
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