Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)

organic compounds

fa3314 scheme

Acta Cryst. (2013). C69, 556-559    [ doi:10.1107/S0108270113010299 ]

A water wire in L-prolyl-L-serine monohydrate

C. H. Görbitz and V. N. Yadav

Abstract: Despite the extra functional group in the serine side chain, the crystal packing arrangement of the title compound {systematic name: (S)-3-hydroxy-2-[(S)-pyrrolidine-2-carboxamido]propanoic acid monohydrate}, C8H14N2O4·H2O, is essentially the same as observed for a series of L-Pro-L-Nop peptide hydrates, where Nop is a strictly nonpolar residue. This is rendered possible by a monoclinic P21 packing arrangement with Z' = 2 that deviates from orthorhombic P212121 symmetry only for the seryl hydroxy groups, which form infinite O-H...O-H hydrogen-bonded chains along the 5.3 Å a axis. At the same time, cocrystallized water molecules form parallel water wires.

Formula: C8H14N2O4·H2O

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