Crystal structure of (acetato-?O)(ethanol-?O)[(9S,17S,21S,29S)-9,17,21,29-tetra-hydroxy-18,30-dioxa-octa-cyclo-[18.10.0.0(2,7).0(8,19).0(9,17).0(11,16).0(21,29).0(23,28)]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undeca-ene-10,22-dione-?(3) O (18),O (21),O (22)]caesium ethanol monosolvate.

ABSTRACT: The title compound, [Cs(CH3COO)(C28H16O8)(C2H5OH)]·C2H5OH, is the product of the complexation between one vasarene analogue [1], bis ninhydrin naphthalene-1,3-diol and CsF, where the F(-) ion has reacted with residual acetic acid (AcOH), to form a [1]·CsOAc complex. The inter-molecular inter-actions with the multiple oxygen-containing functional groups of the ligand, as well as O-H?O hydrogen bonds involving the ethanol solvent mol-ecules, stabilize the complex, forming a chain along [100]. Additional parallel-displaced ?-? stacking, with an inter-planar distance of 3.669?(1)?Å, connect several unit cells in a three-dimensional supra-molecular structure, though, the larger size of AcO(-) (1.60?Å) compared to F(-) (1.33?Å) prevents the tight packing that was once achieved with other vasarene complexes of CsF.

SUBMITTER: Bengiat R 

PROVIDER: S-EPMC4992898 | biostudies-other | 2016 Jul

REPOSITORIES: biostudies-other