The crystal structure of the triclinic polymorph of 1,4-bis-([2,2':6',2''-terpyridin]-4'-yl)benzene

Abstract

The title triclinic polymorph (Form I) of 1,4-bis-([2,2':6',2''-terpyridin]-4'-yl)benzene, C₃₆H₂₄N₆, was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the ortho-rhom-bic polymorph (Form II), has been described previously [Fernandes et al. (2010 ▸). Acta Cryst. E66, o3241-o3242]. The asymmetric unit of Form I consists of half a mol-ecule, the whole mol-ecule being generated by inversion symmetry with the central benzene ring being located about a crystallographic centre of symmetry. The side pyridine rings of the 2,2':6',2''-terpyridine (terpy) unit are rotated slightly with respect to the central pyridine ring, with dihedral angles of 8.91 (8) and 10.41 (8)°. Opposite central pyridine rings are coplanar by symmetry, and the angle between them and the central benzene ring is 49.98 (8)°. The N atoms of the pyridine rings inside the terpy entities, N⋯N⋯N, lie in trans-trans positions. In the crystal, mol-ecules are linked by C-H⋯π and offset π-π inter-actions [inter-centroid distances are 3.6421 (16) and 3.7813 (16) Å], forming a three-dimensional structure.

Keywords: C—H⋯π inter­actions; crystal structure; offset π–π inter­actions; terpyridine.