4-Carbamoylpiperidinium phenyl­acetate hemihydrate

The asymmetric unit of the title compound, C(6)H(13)N(2)O(+)·C(8)H(7)O(2) (−)·0.5H(2)O, 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 an...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011685/
https://www.ncbi.nlm.nih.gov/pubmed/21589544
http://dx.doi.org/10.1107/S1600536810047872
Descripción
Sumario:The asymmetric unit of the title compound, C(6)H(13)N(2)O(+)·C(8)H(7)O(2) (−)·0.5H(2)O, 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 R (2) (2)(11)] which incorporate a single carboxyl O-atom acceptor. These cyclic motifs enclose larger R (5) (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(c) (c = carboxylate) associations, giving a duplex-sheet structure.

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