SYNTHESIS AND CRYSTAL-STRUCTURE OF GUANIDINIUM L-MONOHYDROGENTARTRATE- ENCAPSULATION OF AN OPTICALLY NONLINEAR OCTUPOLAR CATION

Encapsulation of an optically nonlinear octupolar guanidinium cation i n a host polyanionic L-monohydrogentartrate lattice leads to a noncent ro-symmetric orthorhombic P2(1)2(1)2(1) guest-host crystalline structu re with cell parameters a = 11. 347 (2), b 11.162 (2), c = 6.668 (2) a ngstrom with Z = 4. Final R 0.049 from 1229 independent reflections. T he packing shows strong interlocking between the anionic and cationic sublattices by a multidirectional hydrogen-bonding network. The optima lly oriented octupolar crystalline structure for the 222 crystal point group is defined and the corresponding reference maximal nonlinear su sceptibility is compared to that of the present guanidinium crystal st ructure thus pointing out possible improvements via appropriate struct ural modifications.