9-Amino-1,2,3,4-tetrahydroacridine hydrochloride monohydrate (THA.HCl).
C13H15N2+.Cl-.H2O, Mr = 252.74, monoclinic, P2(1)/c, a = 8.776(2), b = 8.514(1), c = 18.046 (4) A, beta = 107.09 (2) degrees, V = 1288.8 (5) A3, Z = 4, D chi = 1.302 Mg m-3, lambda (Cu K alpha) = 1.5418 A, mu = 0.238 mm-1, F(000) = 536, T = 293 K, final R = 0.042 for 2080 observed data. Atoms C2 and C3 of the reduced ring are disordered. The crystal structure has an extensive network of hydrogen bonds in which the water molecule donates its H atoms to two Cl ions and accepts the H atom from the protonated ring N atom. The amino group also donates its H atoms in hydrogen bonding to two Cl ions.
Zacharias
D E
DE
Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA 19111.
Glusker
J P
JP
D000585:Aminacrine; D000609:Aminoacridines; D002800:Cholinesterase Inhibitors; D006860:Hydrogen Bonding; D015394:Molecular Structure; D013619:Tacrine; D014961:X-Ray Diffraction
D000609:Aminoacridines; D002800:Cholinesterase Inhibitors; D013619:Tacrine; D000585:Aminacrine