title: Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).
abstract: The asymmetric unit of the title compound, C48H54O5S4·N(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⋯O, O-H⋯S and O-H⋯Cl hydrogen bonds and weak C-H⋯O, C-H⋯S and C-H⋯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) Å(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.
authors.affiliation: Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
authors.forename: Mehmet
authors.initials: M
authors.lastname: Akkurt
authors.affiliation: Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski
authors.affiliation: Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
authors.forename: Shaaban K
authors.initials: SK
authors.lastname: Mohamed
authors.affiliation: Medical Laboratory Department, College of Science, Majmaah University, 11932, Saudi Arabia ; Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt.
authors.forename: Omran A
authors.initials: OA
authors.lastname: Omran
authors.affiliation: Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.
authors.forename: Mustafa R
authors.initials: MR
authors.lastname: Albayati
keywords: alkyl­ation; co-crystal; crystal structure; hydrogen bonding; p-tert-butyl­thia­calix[4]arene; phase transfer catalysis; tetra­ethyl­ammonium chloride