Crystallography of water solvated tetrahydropalmatine hydrochloride [(C21H26NO4)Cl-+(-).2H(2)O]

The title compound, 5,8,13,13 a-tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo [a, g] quinolizine hydrochloride, [C21H26NO4](+). Cl--.. 2H(2)O. crystallizes in the monoclinic space group P2(1) with unit cell parameters a = 6.879(1), b = 11.977(1), c = 13.088(1)Angstrom. beta = 95.33(1)degrees. The structure has been solved by direct methods and refined to a residual index R = 0.051. The six-membered rings B and C are trans-fused and have half-chair conformations. The two phenyl rings are planar. The mean value of three C-N-C angles is 110.9 (3)degrees indicating sp(3) hybridization of the N atom. The dihedral angle between the two phenyl rings A and D is 19.0(1)degrees. A hydrogen bond of 3.065 (4)Angstrom is observed between the chloride anion and nitrogen atom N7 of the cation.