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Acta Cryst. (2010). E66, o871-o872  [ doi:10.1107/S1600536810009554 ]

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

Y.-F. Chen, Y. Liu, J.-P. Ma and D.-S. Guo

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...[pi] 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.

Online 20 March 2010


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