5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate

Abstract

In the crystal structure of the title compound, C52H36Br4O12S8·CH2Cl2, the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H...O hydrogen bond and four C—H...π interactions, with the four 4-MeC6H4SO3 groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC6H4SO3 unit is nearly perpendicular to one of the two neighboring phenol rings with interplanar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supramolecular structure, a solvent-bridged dimer composed of two main molecules is formed by four intermolecular C—H...O hydrogen bonds and locally creates an R44(26) motif. Such dimers associate further into chains by interdimer C—Cl...O short contacts [Cl...O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of interchain C—Br...O interactions [Br...O = 3.183 (3) and 2.966 (4) Å] as well as C—H...O hydrogen bonds.