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

Abstract

The molecular 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 interactions. The molecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

Keywords

• crystal structure
• benzotriazole derivative
• benzotriazolophanes
• bis(1H-benzotriazol-1-ylmethyl)arene ligands