Crystal Structure of 4,7,13,16,21,24-Hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane Diiodide

Abstract

The disordered crystal structure of 4'7'13'16'21'24-hexaoxa-1'10-diazoniabicyclo[8.8.8]hexa-cosane diiodide, [H₂(2.2.2-Crypt)]^{2 +}·2I^-, was studied by single crystal X-ray diffraction. The 2.2.2-cryptanddication is disordered, exists in the form of two different conformers A, B randomly occupying thesame place in the unit cell with 71.5 and 28.5% probability, respectively. In both conformers A and B, thehydrogen atoms at the bridgehead nitrogen atoms are directed inside the cavity (crypta) of the conformer. The geometric parameters (bond lengths, bond angles, torsion angles) of these conformers were found, and the packing of these cations and iodide anions in the crystal were determined. The iodide anions have contacts only with the methylene hydrogen atoms of conformers A and B.