Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene

Acta Crystallogr E Crystallogr Commun. 2016 May 17;72(Pt 6):815-8. doi: 10.1107/S2056989016007805. eCollection 2016 Jun 1.

Abstract

The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C-H⋯N and C-H⋯π inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

Keywords: benzotriazole derivative; benzotriazolophanes; bis­(1H-benzotriazol-1-ylmeth­yl)arene ligands; crystal structure.