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

The asymmetric unit of the title compound, C(48)H(54)O(5)S(4)·N(C(2)H(5))(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 ea...

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Detalles Bibliográficos
Autores principales: Akkurt, Mehmet, Jasinski, Jerry P., Mohamed, Shaaban K., Omran, Omran A., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645050/
https://www.ncbi.nlm.nih.gov/pubmed/26594550
http://dx.doi.org/10.1107/S2056989015018617
Descripción
Sumario:The asymmetric unit of the title compound, C(48)H(54)O(5)S(4)·N(C(2)H(5))(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) Å(3), 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.