4-Carbamoylpiperidinium phenylacetate hemihydrate


Autoria(s): Smith, Graham; Wermuth, Urs D.
Data(s)

2010

Resumo

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 <i>b</i> by the single water molecule via water O---H...O(carboxyl) associations to give a two-dimensional duplex-sheet structure

Formato

application/pdf

Identificador

http://eprints.qut.edu.au/38910/

Publicador

Blackwell Publishing on behalf of IUCr

Relação

http://eprints.qut.edu.au/38910/1/38910P.PDF

DOI:10.1107/S1600536810047872

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

Direitos

Open Access - Attribution

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.

Fonte

Chemistry; Drama; Faculty of Science and Technology

Palavras-Chave #030606 Structural Chemistry and Spectroscopy #crystal structure #hydrogen bonding #proton transfer #isonipecotamide
Tipo

Journal Article