Acta Crystallographica Section E (Dec 2010)

4-Carbamoylpiperidinium phenylacetate hemihydrate

  • Urs D. Wermuth,
  • Graham Smith

DOI
https://doi.org/10.1107/S1600536810047872
Journal volume & issue
Vol. 66, no. 12
pp. o3260 – o3260

Abstract

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The asymmetric unit of the title compound, C6H13N2O+·C8H7O2−·0.5H2O, comprises two isonipecotamide cations, two phenylacetate anions and a water molecule of solvation. The hydrogen-bonding environments for both sets of ion pairs are essentially identical with the piperidinium and amide `ends' of each cation involved in lateral heteromolecular hydrogen-bonded cyclic N—H...O associations [graph set R22(11)] which incorporate a single carboxyl O-atom acceptor. These cyclic motifs enclose larger R55(21) cyclic systems, forming sheet substructures which lie parallel to (101) and are linked across b by the single water molecule via water O—H...Oc (c = carboxylate) associations, giving a duplex-sheet structure.