Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate

The disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo8.8.8]-hexacosane perchlorate monohydrate, H(Crypt-222)·H₂O]⁺·ClO ₄ ^? (I), has been determined by XRD. The triclinic structure of I (space group \(P\overline 1 \), a = 9.748 Å, b = 10.570 Å, c = 13.820 Å; α = 109.40°, β = 109.75°, γ = 93.04°, Z = 2) was solved by direct methods and refined by full-matrix least-squares in the anisotropic approximation to R = 0.072 over all 3675 independent reflections collected (CAD-4 automatic diffractometer, λCuK_α). This compound is the first crystal salt containing the 2.2.2-cryptand cation with one protonated nitrogen atom that was synthesized and structurally investigated.