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 -).
CCDC references: 742631 and 978150
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)
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