Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782194973971578880 |
---|---|
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. |
format | Text |
id | pubmed-3011572 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT smithgraham bis4carbamoylpiperidiniumbiphenyl44disulfonate AT wermuthursd bis4carbamoylpiperidiniumbiphenyl44disulfonate AT youngdavidj bis4carbamoylpiperidiniumbiphenyl44disulfonate |