CRYSTAL AND MOLECULAR-STRUCTURE OF DI(2-METHYLBENZOTRIAZOLE) SULFATE,(C7N3H9)2SO4

The structure of di(2-Methylbenzotriazole) sulphate, (C7N3H9)2SO4, has been solved by X-ray diffraction methods. The compound crystallises i n triclinic space group P1BAR with a = 6.986(1), b = 18.914(1), c = 6. 990(1)angstrom, alpha = 95.083 (1), beta = 115.56 (1) and gamma = 84.9 3(1)-degrees, respectively. M(r) = 362.36, F(000) = 380, Z = 2, D(m) = 1.45 mg m-3, final R = 0.060, R(w) = 0.064. The structure was solved by direct methods (SHELXS86) and refined by least-squares methods. Dim ers of planar 2-Methylbenzotriazole (MBT) molecules form stacks, one a long the a-axis and the other parallel to the c-axis. The SO4-2 ions a re confined by the two sets of stacks and are responsible for holding them together. The structure is mainly stabilized by the stacking forc es. The average interplanar distances in any stack are 3.281 angstrom, within a dimer, and 3.361 angstrom, between the dimers.