Molecular Geometry of 1,2-Bis(9-anthryl)acetylene

Abstract

The structure of 1,2-bis(9-anthryl)acetylene has been determined by single-crystal X-ray diffraction, being refined by least squares to a residual of 0.050 for 566 independent 'observed' reflections. Crystals are monoclinic, P2₁/c, a 12.432(5), b 5.112(1), c 18.758(8) Ǻ, β 126.58(2)°, Z 2. The molecule is centrosymmetric , with the two anthracene moieties coplanar. The spatial separation between H1/H8 and their centrosymmetric equivalents is 2.1 Ǻ. The length of the acetylenic bond is 1.193(10) Ǻ.