The crystal structure of acetylcholine beta-resorcylate.
Acetylcholine beta-resorcylate, C14H21NO6, crystallizes in space group P21/c with a unit cell having dimensions a=14.562(6), b=14.109(4), c=15.096(6) A, and beta=106.90(3) degrees. Z=8. The structure was determined by direct methods from diffractometer collected three-dimensional X-ray data and refined by full-matrix least-squares techniques to an R index of 0.078. Layers of beta-resorcylate ions alternate with layers of acetylcholine ions. The beta-resorcylate ions are linked together in infinite chains by strong hydrogen bonds while no hydrogen bonds involve the acetylcholine ions.
D000109:Acetylcholine; D055598:Chemical Phenomena; D002621:Chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D012118:Resorcinols; D014961:X-Ray Diffraction
D012118:Resorcinols; D000109:Acetylcholine