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Sulfonated 1,3-bis-(4-pyrid-yl)propane.

ABSTRACT: In the title compound, 4-[3-(3-sulfonato-pyridin-1-ium-4-yl)prop-yl]pyridin-1-ium-3-sulfonate, C(13)H(14)N(2)O(6)S(2), the mol-ecule is zwitterionic, with the sulfonic acid proton transfered to the basic pyridine N atom. Also, the structure adopts a butterfly-like conformation with the sulfonate groups on opposite sides of the 'wings'. The dihedral angle between the two pyridinium rings is 83.56?(7)°, and this results in the mol-ecule having a chiral conformation and packing. There is strong inter-molecular hydrogen bonding between the pyridinium H and sulfonate O atoms of adjoining mol-ecules. In addition, there are weaker inter-molecular C-H?O inter-actions.

SUBMITTER: Kuyinu O

PROVIDER: S-EPMC3120508 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Sulfonated 1,3-bis-(4-pyrid-yl)propane.

Kuyinu Ore O Purdy Andrew P AP Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title compound, 4-[3-(3-sulfonato-pyridin-1-ium-4-yl)prop-yl]pyridin-1-ium-3-sulfonate, C(13)H(14)N(2)O(6)S(2), the mol-ecule is zwitterionic, with the sulfonic acid proton transfered to the basic pyridine N atom. Also, the structure adopts a butterfly-like conformation with the sulfonate groups on opposite sides of the 'wings'. The dihedral angle between the two pyridinium rings is 83.56 (7)°, and this results in the mol-ecule having a chiral conformation and packing. There is strong int ...[more]

PMID: 21754894

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