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'Structure activity relationship' in keywords Facet   section ZfN Section C:Volume 037  [X]
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1982 (1)
1Author    Alfred Gieren, Michail KokkinidisRequires cookie*
 Title    Structure Investigations o f Agonists o f the Natural Neurotransmitter Acetylcholine II [1| X-ray Structure Analysis o f Trimethyl(4-oxopentyl)ammonium-chloride  
 Abstract    The crystal structure of Trimethyl(4-oxopentyl)ammonium-chloride ([(C H 3) 3 N —(CH^aCOCHjJCl-) (1) was determined by an X-ray structure analysis. 1 crystallizes in the orthorhombic space group P21 21 21 with a = 10.440 (3), b = 14.600 (9), c = 6.804 (9) A and with four formula units per unit cell. The structure was solved by a Patterson and a successive Fourier synthesis. The least squares refinement yielded an R-value o f 0.064 for 1077 observed reflections. The cation o f 1 is derived from acetylcholine by replacement o f the ester oxygen with a CH2 group. It shows a potent nicotinic activity and a significant difference in conformation as compared with acetylcholine. In the crystal structure the anions are oriented stereospecifically with respect to the tetrahedron of the quaternary ammonium group. The geometry o f two triangles formed by the quaternary nitrogen atom, the oxygen atom o f the carbonyl group, and by either o f the two anions nearest to the quaternary ammonium group is characteristic for the nicotinic activity o f 1. 
  Reference    Z. Naturforsch. 37c, 282 (1982); received December 231981 
  Published    1982 
  Keywords    X-ray, Neurotransmitter, Cation-Anion Interactions, Structure-Activity Relationships 
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 TEI-XML for    default:Reihe_C/37/ZNC-1982-37c-0282.pdf 
 Identifier    ZNC-1982-37c-0282 
 Volume    37