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(2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate

Gallagher, John F. orcid logoORCID: 0000-0003-4130-4556 and Brady, Fiona (2007) (2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate. Acta Crystallographica Section E, 63 (5). pp. 2207-2210. ISSN 1600-5368

The title compound, C₁₇H₁₅NO₄·H₂O, derived from DL-tyrosine crystallizes as an unusual hydrogen-bonded acid-monohydrate dimer. The asymmetric unit contains two organic molecules and two water molecules. Dimers link through (aryl)O-H...O=C hydrogen bonds along the [101] direction, forming a one-dimensional chain of rings, and further associated via inversion centres (forming a chain of rings aligned in the opposite direction) generating columns. Ruffled sheets arise from interlocking of isoindole rings via π-π(arene) stacking and C-H...π(arene) interactions; C-H...O interactions generate a three-dimensional network.
Item Type:Article (Published)
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/S1600536807014158
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:304
Deposited On:12 Mar 2008 by DORAS Administrator . Last Modified 10 Oct 2018 12:02

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