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

Shamala, N. ; Row, T. N. G. ; Venkatesan, Kailasam (1976) Crystal and molecular structure of allo-4-hydroxy-L-proline dihydrate Acta Crystallographica Section B: Structural Science, B32 . pp. 3267-3270. ISSN 0108-7681

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allo-4-Hydroxy-L-proline crystallizes from an aqueous solution as the dihydrate. The crystals are orthorhombic, space grooup P2,2,2 with a=7.08(2), b=22.13(3), c=5.20(2) Å. The structure was solved by direct methods and refined by block-diagonal least swuares. The final R for 733 observed reflexions is 0.054. The molecule exists as a zwitterionl with hydroxyl and carboxy groups eis to the pyrrolidine ring. The latter is puckered at the β-carbon atom, which deviates by -0.54 Å from the best plane formed by the four remaining atoms. The moleules are held together by a network of hydrogen bonds, the water molecules playing a dominant role in the stability of the structure.

Item Type:Article
Source:Copyright of this article belongs to International Union of Crystallography.
ID Code:11772
Deposited On:13 Nov 2010 13:55
Last Modified:03 Jun 2011 04:51

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