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Crystal and molecular structure of allo-4-hydroxy-L-proline dihydrate

Guru Row, TN and Venaktesan, K and Shyamala, V (1976) Crystal and molecular structure of allo-4-hydroxy-L-proline dihydrate. In: Acta Crystallographica Section B, 32 (12). pp. 3267-3270.

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allo-4-Hydroxy-L-proline crystallizes from an aqueous solution as the dihydrate. The crystals are orthorhombic, space group P212121, with a=7.08 (2), b=22.13 (3), c= 5"20 (2) A,. The structure was solved by direct methods and refined by block-diagonal least squares. The final R for 733 observed reflexions is 0.054. The molecule exists as a zwitterion with hydroxyl and carboxyl groups cis to the pyrrolidine ring. The latter is puckered at the fl-carbon atom, which deviates by -0.54 A, from the best plane formed by the four remaining atoms. The molecules are held together by a network of hydrogen bonds, the water molecules playing a dominant role in the stability of the structure.

Item Type: Journal Article
Publication: Acta Crystallographica Section B
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Division of Chemical Sciences > Organic Chemistry
Date Deposited: 13 Nov 2009 11:43
Last Modified: 19 Sep 2010 05:47
URI: http://eprints.iisc.ac.in/id/eprint/23862

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