Crystal Structure of 1,10-Diazonia-18-crown-6 Picrate

The crystal structure of 1,10-diazonia-18-crown-6 picrate (I) was determined in an X-ray diffraction study: space group , a = 10.516(2), b = 11.595(2), c = 15.470(3) , = 78.74(2), = 70.31(2), = 64.38(2)°, Z = 2. The structure was solved by direct methods. The full-matrix least-squares refinement was performed anisotropically to R = 0.060 for all 5275 unique reflections collected (CAD-4 automatic diffractometer, MoK). In crystal, compound (salt) I exists as individual complex (ionic) molecules [H₂DA18C6]²⁺2Pic^– formed by N–HO type hydrogen bonds and counterion electrostatic attraction forces. In the unit cell of crystal I, there are two such centrosymmetric and crystallographically independent molecules; the constituent molecular ions are slightly disordered. The DA18C6 dications exist in two-angle form, which is their typical conformation.