Ferguson, George, Gallagher, John F.ORCID: 0000-0002-7112-7450, Fullwood, Russell and Parker, David
(1992)
Oxonium (R)-O-acetylmandelate.
Acta Crystallographica Section C, 48
(10).
pp. 1909-1911.
ISSN 0108-2701
The three H atoms of the oxonium H30+ cation are disordered
equally over four orientations and are involved in an extensive three-dimensional hydrogen-bonding network
with the carbonyl and carboxylate O atoms of four
neighbouring (Ph)CH(OAc)COO- anions [H...O 1.62-
1.85, O...O 2.722(3)-2.902(3) A]; the O-acetyl oxygen
is not involved in any hydrogen bonding, Principal
bond lengths include Cs:--Ocarbonyl 1.211(4), Csp 2-
Oearboxylate 1.234(4) and 1.246(3) ,4,. The main torsion angles defining the conformation in the mandelate anion are:
Ocarboxylate--Csf--Csp a-Car 84.6(2) and -92.3(2)°;
Csp 2-O -- Csp 3- Car -- 171.6(2) and Csp 2 --O --Csp 3 --
Csp 2 67.7(2) °.