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The structure of the title compound, C9H18N2O3.4H2O, contains a very unusual and elaborate system of hydrogen-bonded water molecules, which includes cyclic water pentamers with idealized hydrogen-bond cooperativity. The solvent molecules form columns in the crystal, as do hydrophobic aggregates of peptide side chains. Both these units are located between hydrophilic sheets formed by the peptide main chains. The sheets contain two head-to-tail hydrogen-bonded chains, one of which is interrupted by a bridging water molecule that is functionally different from those constituting the core of the water channels.

Supporting information


Crystallographic Information File (CIF)
Contains datablocks lax2, global


Structure factor file (CIF format)
Contains datablock lax2

CCDC reference: 128697

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