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Oxonium (R)-O-acetylmandelate

Ferguson, George and Gallagher, John F. and Fullwood, Russell and Parker, David (1992) Oxonium (R)-O-acetylmandelate. Acta Crystallographica Section C, 48 (10). pp. 1909-1911. ISSN 0108-2701

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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) °.

Item Type:Article (Published)
Subjects:Physical Sciences > Organic chemistry
Physical Sciences > Crystallography
DCU Faculties and Centres:DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences
Publisher:International Union of Crystallography
Official URL:
Copyright Information:© 1992 International Union of Crystallography
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:3613
Deposited On:18 Mar 2009 17:53 by DORAS Administrator. Last Modified 18 Mar 2009 17:53

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