Disordered crystal structure of the 1 : 3 solvated molecular ionic complexof 1,10-diaza-18-crown-6 with (+)-tartaric acid

The disordered crystal structure of the 1:3 solvated molecular ionic comple x of 1,10-diaza-18-crown-6 with (+)-tartaric acid [C12N28N2O4](2+). 2C(4)H( 5)O(6)-C4H(6)O(6).1.5CH(3)OH .1.7H(2)O (I) was investigated by XRD analysis . Crystals I are monoclinic: space group P2(1), a = 9.662(2), b = 13.618(5) , c = 14.316(3) Angstrom, beta = 93.97(2)degrees, Z = 2. Structure I was so lved by direct methods and refined by the full-matrix least-squares procedu re anisotropically to R = 0.081 for all 3539 unique measured reflections (C AD-4 automatic diffractometer, lambda CuKalpha). In structure I, the solvat ed methanol and water molecules are disordered on many sites. The DA18C6 di cation is also disordered and has two different asymmetric conformations. T he two tartrate anions lie on different sides of the cavity of the DA18C6 d ication, whose two NH2+ groups each forms two H-bonds of N-H . . .O type wi th each of the tartrate anions. The (+)-tartaric acid molecule and the solv ated molecules are not involved in the H-bonds with the DA18C6 dication. Th e molecular ionic complex I exists in crystal as a complex infinite three-d imensional supramolecular structure.