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Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.

ABSTRACT: 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 inter-action [graph set R(2) (2)(8)], the other giving a similar dimeric inter-action but across an inversion centre, both dimers then forming lateral cyclic R(4) (2)(8) pyrimidinium-amide N-H?O inter-actions. 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.

SUBMITTER: Smith G

PROVIDER: S-EPMC3011572 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.

Smith Graham G Wermuth Urs D UD Young David J DJ

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

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 inter-action [graph set R(2) (2)(8)], the other giving a similar dimeric inter-action but across an ...[more]

PMID: 21589457

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