Publications [#233532] of Andrew T. McPhail

Journal Articles

  1. McPhail, AT; Donia, MB; Rosen, GM, "X-ray crystal structure and conformation of a spin-labeled acetylcholine, DL-4-[N,N-dimethyl-n-(ethan-2'-olacetate)amino]-2,2,6,6-tetramethylpiperidine-1-oxyliodide.", Mol PharmacolJuly,, 1976, 12(4), 590-597.
    (last updated on 2026/01/21)

    Abstract:
    The detailed molecular geometry of the title compound, a muscarinic blocking agent, has been established by single crystal X ray analysis. Crystals are orthorhombic, space group Pbca, a = 18.00 (1), b = 11.42 (1), c = 18.42 (1) A, Z = 8. The structure was solved by the heavy atom method, and atomic parameters were refined by full matrix, least squares calculations to R 0.049 over 1082 statistically significant reflections from diffractometer measurements. Comparison of the results with those for known muscarinic agents revealed that whereas the O-C-C-N+ torsion angle at 78° is similar to those in other potent muscarinic agents, the C-O (ester)-C-C torsion angle at 99° lies outside the range predicted for muscarinic agonists.