title: A water wire in L-prolyl-L-serine monohydrate.
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 P2(1) packing arrangement with Z' = 2 that deviates from orthorhombic P2(1)2(1)2(1) 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.
authors: Department of Chemistry, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway. c.h.gorbitz@kjemi.uio.no
authors: Carl Henrik
authors: CH
authors: Görbitz
authors: Vitthal N
authors: VN
authors: Yadav
mesh_terms: D018360:Crystallography, X-Ray; D004151:Dipeptides / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D014867:Water / Q000737:chemistry*
chemical_list: D004151:Dipeptides; C465982:prolyl-serine; D014867:Water