Structural study of flobufen (cas 112344-52-2) II. An unexpected role of packing effects on the dihedral angle of phenyl rings in crystal structures of 2,4-difluorobiphenyls
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Add time:07/20/2019 Source:sciencedirect.com
The absolute structure of the (R)-(+)-1-phenylethylammonium salt of (R)-(+)-flobufen (cas 112344-52-2) (4-(2′,4′-difluorobiphenyl-4-yl)-2-methyl-4oxobutanoic acid) was determined by a single-crystal X-ray study. Comparison of the structure of this flobufen salt with those of flobufen and dehydroflobufen (4-(2′,4′-difluorobiphenyl-4-yl)-2-methylen-4-oxobutanoic acid) revealed an unexpected coplanar arrangement of the 2,4-difluorobiphenyl group in the flobufen salt. This effect was attributed to the predominant role of the three-dimensional hydrogen-bond network of the molecular packing.
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