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Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate

In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2−), the asymmetric unit comprises one biphenyl-4,4′-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1 (1)°], togethe...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D., Young, David J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011572/
https://www.ncbi.nlm.nih.gov/pubmed/21589457
http://dx.doi.org/10.1107/S1600536810045526
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author Smith, Graham
Wermuth, Urs D.
Young, David J.
author_facet Smith, Graham
Wermuth, Urs D.
Young, David J.
author_sort Smith, Graham
collection PubMed
description In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2−), the asymmetric unit comprises one biphenyl-4,4′-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1 (1)°], together with three isonipecotamide cations. Two of these cations give a cyclic homomeric amide–amide dimer inter­action [graph set R (2) (2)(8)], the other giving a similar dimeric inter­action but across an inversion centre, both dimers then forming lateral cyclic R (4) (2)(8) pyrimidinium–amide N—H⋯O inter­actions. These units are linked both laterally and longitudinally to the sulfonate groups of the dianions through piperidinium N—H⋯O hydrogen bonds, giving a three-dimensional framework structure.
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spelling pubmed-30115722010-12-30 Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate Smith, Graham Wermuth, Urs D. Young, David J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2−), the asymmetric unit comprises one biphenyl-4,4′-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1 (1)°], together with three isonipecotamide cations. Two of these cations give a cyclic homomeric amide–amide dimer inter­action [graph set R (2) (2)(8)], the other giving a similar dimeric inter­action but across an inversion centre, both dimers then forming lateral cyclic R (4) (2)(8) pyrimidinium–amide N—H⋯O inter­actions. These units are linked both laterally and longitudinally to the sulfonate groups of the dianions through piperidinium N—H⋯O hydrogen bonds, giving a three-dimensional framework structure. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011572/ /pubmed/21589457 http://dx.doi.org/10.1107/S1600536810045526 Text en © Smith et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Smith, Graham
Wermuth, Urs D.
Young, David J.
Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title_full Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title_fullStr Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title_full_unstemmed Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title_short Bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
title_sort bis(4-carbamoylpiperidinium) biphenyl-4,4′-disulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011572/
https://www.ncbi.nlm.nih.gov/pubmed/21589457
http://dx.doi.org/10.1107/S1600536810045526
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