4,7,13,16,21,24-Hexaoxa-1,10-diazaniabicyclo[8.8.8]-hexacosane
Bis(dihydrogenphosphate) Dihydrate:
Synthesis and Crystal Structure

A. N. Chekhlov

Institute of Problems of Chemical Physics, Russian Academy of Sciences,
Chernogolovka, Moscow oblast, 142432 Russia

Received July 11, 2005

Abstract—A crystalline hydrated salt of 2.2.2-cryptand and orthophosphoric acid [H₂(Crypt-222)]²⁺ ·
2H₂P · 2H₂O is synthesized and studied using single-crystal X-ray diffraction. The crystals are triclinic,
space group P, a = 7.969 Å, b = 8.253 Å, c = 24.858 Å, = 89.08, = 80.86, = 62.35, Z = 2. The structure
is solved by a direct method and refined by the full-matrix least-squares method in the anisotropic approxima-
tion to R = 0.068 for all 3718 independent reflections (CAD4 automated diffractometer, MoK radiation). In
the structure, the 2.2.2-cryptand dication has a rare exo–exo conformation, in which two H atoms at the two N
atoms are directed outside of its cavity. The P atoms of two independent H₂P anions have considerably dis-
torted tetrahedral coordination. The crystal structure contains a developed three-dimensional system of inter-
molecular (interionic) hydrogen bonds.

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