5,11,17,23-Tetra-bromo-25,26,27,28-tetra-kis(4-tolyl-sulfon-yloxy)-2,8,14,20-tetra-thia-calix[4]arene dichloro-methane solvate.

ABSTRACT: In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thia-calix[4]arene unit adopts a 1,3-alternate conformation with an intra-molecular C-H?O hydrogen bond and four C-H?? inter-actions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with inter-planar 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 supra-molecular structure, a solvent-bridged dimer composed of two main mol-ecules is formed by four inter-molecular C-H?O hydrogen bonds and locally creates an R(4) (4)(26) motif. Such dimers associate further into chains by inter-dimer 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 inter-chain C-Br?O inter-actions [Br?O = 3.183?(3) and 2.966?(4)?Å] as well as C-H?O hydrogen bonds.

SUBMITTER: Chen YF 

PROVIDER: S-EPMC2983853 | biostudies-other | 2010

REPOSITORIES: biostudies-other