Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5111723-tetra-tert-butyl-262728-trihy­droxy-281420-tetra­thia­calix4arene–tetra­ethyl­ammonium chloride (1/1)

摘要

The asymmetric unit of the title compound, C48H54O5S4·N(C2H5)4 ⁺·Cl⁻, contains two tetra-tert-butyl-[(benzo­yl)meth­oxy]-trihy­droxy-tetra­thia­calix[4]arene mol­ecules, two tetra­ethyl­ammonium 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⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds and weak C—H⋯O, C—H⋯S and C—H⋯Cl inter­actions link the thia­calixarene mol­ecules, tetra­ethyl­ammonium 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) ų, but no solvent mol­ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio.