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4-(4-Nitro-benz-yl)pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Smith G, Wermuth UD - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7 (2)°.Within the anion there is an intramolecular hydroxy-O-H⋯O(carboxylic acid) bond.These cation-anion pairs inter-act through duplex anion carb-oxy-lic acid O-H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R(2) (2)(16)].

View Article: PubMed Central - HTML - PubMed

Affiliation: Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

ABSTRACT
In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O-H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)-H⋯O(sulfonate) hydrogen bond with the anion. These cation-anion pairs inter-act through duplex anion carb-oxy-lic acid O-H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R(2) (2)(16)]. The crystals studied were non-merohedrally twinned.

No MeSH data available.


Molecular configuration and atom naming scheme for the hydrogen-bonded NBPY cation and 5-SSA monoanion species in the title salt. Hydrogen bonds are shown as dashed lines and displacement ellipsoids are drawn at the 40% probability level.
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Fap1: Molecular configuration and atom naming scheme for the hydrogen-bonded NBPY cation and 5-SSA monoanion species in the title salt. Hydrogen bonds are shown as dashed lines and displacement ellipsoids are drawn at the 40% probability level.


4-(4-Nitro-benz-yl)pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Smith G, Wermuth UD - Acta Crystallogr Sect E Struct Rep Online (2013)

Molecular configuration and atom naming scheme for the hydrogen-bonded NBPY cation and 5-SSA monoanion species in the title salt. Hydrogen bonds are shown as dashed lines and displacement ellipsoids are drawn at the 40% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569266&req=5

Fap1: Molecular configuration and atom naming scheme for the hydrogen-bonded NBPY cation and 5-SSA monoanion species in the title salt. Hydrogen bonds are shown as dashed lines and displacement ellipsoids are drawn at the 40% probability level.
Bottom Line: In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7 (2)°.Within the anion there is an intramolecular hydroxy-O-H⋯O(carboxylic acid) bond.These cation-anion pairs inter-act through duplex anion carb-oxy-lic acid O-H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R(2) (2)(16)].

View Article: PubMed Central - HTML - PubMed

Affiliation: Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

ABSTRACT
In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(-), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro-benz-yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O-H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)-H⋯O(sulfonate) hydrogen bond with the anion. These cation-anion pairs inter-act through duplex anion carb-oxy-lic acid O-H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R(2) (2)(16)]. The crystals studied were non-merohedrally twinned.

No MeSH data available.