4-Carbamoylpiperidinium phenylacetate hemihydrate

Smith, Graham & Wermuth, Urs D. (2010) 4-Carbamoylpiperidinium phenylacetate hemihydrate. Acta Crystallographica. Section E: Structure Reports Online, 66(12), o3260.

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In the structure of the title compound, C6H13N2O+ C8H7O2- . 0.5H2O, the asymmetric unit 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 R2/2(11)] which incorporate a single carboxyl O-atom acceptor. These cyclic motifs enclose larger R5/5(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...O(carboxyl) associations to give a two-dimensional duplex-sheet structure

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ID Code: 38910
Item Type: Journal Article
Refereed: Yes
Keywords: crystal structure, hydrogen bonding, proton transfer, isonipecotamide
DOI: 10.1107/S1600536810047872
ISSN: 1600-5368
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Past > Schools > Chemistry
Past > Schools > Drama
Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Open Access - Attribution
Copyright Statement: This open-access article is distributed under the terms of the Creative Commons Attribution Licence
http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and
reproduction in any medium, provided the original authors and source are cited.
Deposited On: 29 Nov 2010 04:39
Last Modified: 29 Feb 2012 14:27

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