Crystal structure of the inclusion complex 25-benzoylmethoxy-5,11,17,23tetra-tert-butyl-26,27,28-trihydroxy- 2,8,14,20-tetrathiacalix[4]arene tetraethylammonium chloride (1/1)

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AKKURT M., Jasinski J. P., Mohamed S. K., Omran O. A., Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.71, 2015 (ESCI) identifier identifier identifier

Özet

The asymmetric unit of the title compound, C48H54O5S4N(C2H5)(4)Cl-+(-), contains two tetra-tert-butyl-[(benzo-yl)meth-oxy]-trihy-droxy-tetra-thia-calix[4]arene mol-ecules, two tetra-ethyl-ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit each display a cone conformation. There are no significant differences between the two independent molecules. The guest species do not sit within the calixarene buckets. In the crystal, extensive O-H center dot center dot center dot O, O-H center dot center dot center dot S and O-H center dot center dot center dot Cl hydrogen bonds and weak C-H center dot center dot center dot O, C-H center dot center dot center dot S and C-H center dot center dot center dot Cl inter-actions link the thia-calixarene mol-ecules, tetra-ethyl-ammonium cations and chloride anions, forming a three-dimensional network encompassing channels running parallel to the a-axis direction. The structure contains a solvent-accessible void of 76 (3) angstrom(3), but no solvent mol-ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio.