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Acta Cryst. (2013). E69, o1829-o1830
[ doi:10.1107/S1600536813031620 ]

Isovaline monohydrate

R. J. Butcher, G. Brewer, A. S. Burton and J. P. Dworkin

Abstract: The title compound, C5H11NO2·H2O, is an isomer of the [alpha]-amino acid valine that crystallizes from water in its zwitterion form as a monohydrate. It is not one of the 20 proteinogenic amino acids that are used in living systems and differs from the natural amino acids in that it has no [alpha]-H atom. The compound exhibits hydrogen bonding between the water mol­ecule and the carboxyl­ate O atoms and an amine H atom. In addition, there are inter­molecular hydrogen-bonding inter­actions between the carboxyl­ate O atoms and amine H atoms. In the crystal, these extensive N-H...O and O-H...O hydrogen bonds lead to the formation of a three-dimensional network.


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