The structure of acetylarsenocholine bromide.
[C7H16AsO2]+.Br, Mr = 287.03, orthorhombic, P2(1)2(1)2(1), a = 10.121 (3), b = 11.745 (2), c = 9.530 (1) A, V = 1132.8 (6) A3, Z = 4, Dx = 1.682 Mg m-3, lambda(Mo K alpha) = 0.71069 A, mu = 6.86 mm-1, F(000) = 568, T = 296 K, R = 0.034 for 919 observed reflections. Crystalline acetylarsenocholine bromide exists in the trans-gauche conformation which is similar to the solution conformation of acetylcholine. The cationic structure is compared with known crystalline acetylcholine salts. In the crystal structure, each Br ion appears to link the arsonium ends of four cations.
Kostick
A
A
Department of Chemistry, University of Manitoba, Winnipeg, Canada.
Secco
A S
AS
Billinghurst
M
M
Abrams
D
D
Cantor
S
S
D000109:Acetylcholine / Q000031:analogs & derivatives; D001152:Arsenicals; D002794:Choline / Q000031:analogs & derivatives*; D003460:Crystallization; D003461:Crystallography; D015394:Molecular Structure
D001152:Arsenicals; C035463:acetylarsenocholine; D002794:Choline; D000109:Acetylcholine