Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene

The title complex has been studied using low-temperature X-ray (150 K) and neutron (100 K) diffraction. Molecules of the triazine host form a two-dimensional hexagonal network mediated by trigonally symmetric Cl<SUB>3</SUB> synthons having ClCl interactions of 3.441 (3) &#197;, a C-Cl&#183;&#183;&#183;Cl angle of 165&#176; and a Cl&#183;&#183;&#183;Cl-C angle of 105&#176; , close to the ideal values of 180 and 90&#176; , respectively. The guest molecules are of an appropriate size to fit the hexagonal networks and interact with the host via C-H &#8719; (phenyl) and C-Br &#8719; (phenyl) interactions which stabilize the overall structure. Both C-donor bond vectors are directed more closely towards the mid-point (X) of an individual aromatic bond, rather than the ring centroid, with HX 2.817 (9) &#197; and C-H&#183;&#183;&#183;X 174.0 (9)&#176; , and Br&#183;&#183;&#183;X 3.353 (4) &#197; and C-Br&#183;&#183;&#183;X 158.1 (2)&#176;