Literature DB >> 31871763

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

Alexander E Sedykh1,2, Dirk G Kurth3, Klaus Müller-Buschbaum1,2.   

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. © Sedykh et al. 2019.

Entities:  

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

Year:  2019        PMID: 31871763      PMCID: PMC6895940          DOI: 10.1107/S2056989019015810

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


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