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

ABSTRACT: 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'-di-fluoro-aceto-phenone with o-(meth-oxy-carbon-yl)phenyl-boronic acid. The asymmetric unit contains two crystallographically independent mol-ecules related by a non-crystallographic inversion centre. There are face-to-face stacking inter-actions between the aromatic rings of the benzoate and aceto-phenone units of the symmetry-independent mol-ecules [centroid-centroid distances = 3.870?(3) and 3.986?(3)?Å]. In the crystal, mol-ecules are further assembled via stacking inter-actions along the a-axis direction. One of the mol-ecules inter-acts with its inversion equivalent [centroid-centroid distance between the aromatic rings of the benzoate and aceto-phenone units = 3.932?(3)?Å], and the other inter-acts with its twofold axis equivalent [centroid-centroid distance between the aromatic rings of aceto-phenone units = 3.634?(3)?Å].

SUBMITTER: Ishikawa Y 

PROVIDER: S-EPMC3998574 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature