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Intermolecular O—H O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid.

Brady, Fiona and Gallagher, John F. (2000) Intermolecular O—H O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid. Acta Crystallographica Section C, 56 . pp. 1407-1410. ISSN 0108-2701

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Abstract

The title compound, C17H15NO4, derived from l-tyrosine, crystallizes with three independent mol­ecules which differ in the conformation of the asymmetric unit: the N—C—C—Cipso torsion angles are −71.7 (5), −63.6 (6) and −52.5 (5)°, respectively. Deformations in the phenol ring hydroxy O—C—C angles of 116.5 (4)/123.9 (4), 121.7 (5)/118.1 (4) and 122.4 (5)/118.6 (5)°, respectively, result from their respective intermolecular hydrogen-bonding environments. Intermolecular Oacid—HtO=Cindole, Ophenol—HtO—Hphenol and Ophenol—HtO=Cindole hydrogen bonds, with OtO distances in the range 2.607 (4)–2.809 (4) Å, are present in combination with C—HtO and C—Htπarene interactions. The primary hydrogen-bonding systems assemble with graph sets R33(8) and R32(22).

Item Type:Article (Published)
Refereed:Yes
Subjects:Physical Sciences > 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/S010827010001163X
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:27
Deposited On:08 Nov 2006 by DORAS Administrator. Last Modified 30 Nov 2009 15:20

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