Abstract

Abstract The molecular structure of 12-bromo[2.2][2.2]paracyclophane has been determined by means of X-ray diffraction. The crystal is orthorhombic, space group Pbcn, a=12.768(1), b=11.515(1), c=13.074(1) Å, Z=4. The structure was solved by the heavy-atom method, and refined anisotropically by the block-diagonal leastsquares procedure; R=0.062. The Br–C···C–H axis of the central benzene ring lies on a crystallographic two-fold axis. The outer benzene rings take a boat form, and the central benzene ring is twisted.

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