Acta Cryst. (2014). C70, 202-206 [ doi:10.1107/S2053229613034232 ]
Abstract: (1E,4E)-1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one, C17H10F4O, (I), dimerizes under sunlight in chloroform solution to form the corresponding cyclobutane derivative, (2E,2'E)-1,1'-[2,4-bis(2,6-difluorophenyl)cyclobutane-1,3-diyl]bis[3-(2,6-difluorophenyl)prop-2-en-1-one], C34H20F8O2, (II). The crystal structure of (I) explains why no topochemical dimerization can occur in the solid state. In the solid, molecules of dimer (II) show the `truxillic acid'-type arrangement of crystallographic centres of inversion, with half a molecule per asymmetric unit and cell dimensions closely related to those of the monomer. Intermolecular interactions in both solids are dominated by C-HO and C-HF contacts and also comprise interactions with aromatic systems (C-H and -).
Formula: C17H10F4O and C34H20F8O2
Keywords: crystal structure; photodimerization; dibenzylideneacetone; cyclobutane; fluorine interactions.
Structure factor file (CIF format) (142.5 kbytes)
Structure factor file (CIF format) (124.0 kbytes)
To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.
The download button will force most browsers to prompt for a file name to store the data on your hard disk.
Where possible, images are represented by thumbnails.
Copyright © International Union of Crystallography