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
Abstract
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) °.
Metadata
Item Type: | Article (Published) |
---|---|
Refereed: | Yes |
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: | http://dx.doi.org/10.1107/S0108270192008199 |
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 10 Oct 2018 12:51 |
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