Abstract

AbstractThe crystal structure of the centrosymmetric isomer of hexa‐o‐phenylene has been solved by direct methods from counter data collected with MoKα radiation on a computer‐controlled diffractometer by the balanced‐filter technique and has been refined to R = 0.046. The deviation of the observed structure from an idealized regular geometry is assigned to intra‐ and intermolecular repulsions. The length of the bond linking the benzene rings is 1.498 Å, the angle of twist between the planes of the benzene rings is 77.4°. The packing arrangement shows a pseudo‐trigonal pattern.

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