Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Hy-droxy-pyridinium p-toluene-sulfonate.

ABSTRACT: In the title molecular salt, C(5)H(6)NO(+)·C(7)H(7)O(3)S(-), the cations and anions are connected by N-H?O and O-H?O hydrogen bonds, forming [100] chains.

SUBMITTER: Jin Y

PROVIDER: S-EPMC3379266 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Hy-droxy-pyridinium p-toluene-sulfonate.

Jin Yu Y

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title molecular salt, C(5)H(6)NO(+)·C(7)H(7)O(3)S(-), the cations and anions are connected by N-H⋯O and O-H⋯O hydrogen bonds, forming [100] chains. ...[more]

PMID: 22719464

Similar Datasets

4-Hy-droxy-pyridinium-3-sulfonate.

Project description:The reaction of 4-hy-droxy-pyridine and oleum produces 4-hy-droxy-pyridinium-3-sulfonate, C(5)H(5)NO(4)S, which shows delocalized bonds in the six-membered ring. In the crystal, adjacent zwitterions are linked by N-H?O and O-H?O hydrogen bonds into a layer motif. The crystal studied was a racemic twin.

| S-EPMC3050178 | biostudies-literature

3-Hy-droxy-anilinium p-toluene-sulfonate.

Project description:The asymmetric unit of the title salt, C6H8NO(+)·C7H7O3S(-), contains two cations and two anions. In the crystal, the cations and anions are linked through extensive N-H?O and O-H?O hydrogen-bonding inter-actions, which result in R 4 (4)(18) and R 2 (1)(4) ring motifs, forming a three-dimensional network.

| S-EPMC3793772 | biostudies-literature

2-Amino-3-nitro-pyridinium 4-hy-droxy-benzene-sulfonate.

Project description:In the crystal structure of the title salt, C(5)H(6)N(3)O(2) (+)·C(6)H(5)O(4)S(-), N-H⋯O and O-H⋯O hydrogen bonds link the cations and anions. The dihedral angle between the rings of the cation and anion is 79.91 (6)°.

| S-EPMC3393975 | biostudies-literature

2,3-Diamino-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(6)S(-)·H(2)O, the ion pairs and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, thereby forming a three-dimensional network. There is an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, which generates an S(6) ring motif.

| S-EPMC3247506 | biostudies-literature

2-Amino-5-chloro-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. In both anions, the O atoms of the sulfonate group are disordered over two sets of positions, with occupancy ratios of 0.47?(5):0.53?(5) and 0.50?(8):0.50?(8). In each anion, an intra-molecular O-H?O hydrogen bond generating an S(6) motif is observed. In the crystal structure, the cations and anions are linked via N-H?O, O-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to (110). The structure is further stabilized by ?-? inter-actions between cations and anions [centroid-centroid distance = 3.5454?(12)?Å]. The crystal studied was a non-merohedral twin, with a ratio of the twin components of 0.715?(3):0.285?(3).

| S-EPMC3008044 | biostudies-literature

2-Amino-5-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-), contains two crystallographically independent 2-amino-5-methylpyridinium cations and two sulfosalicylate anions. In the crystal structure, the sulfonate group of each 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion inter-acts with the corresponding 2-amino-5-methyl-pyridinium cation via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ionic units are linked by N-H?O, O-H?O and C-H?O hydrogen bonds. Furthermore, the crystal structure is stabilized by ?-? inter-actions between the benzene and pyridine rings [centroid-centroid distances = 3.5579?(8) and 3.8309?(8)?Å]. There are also intra-molecular O-H?O hydrogen bonds in the anions, which generate S(6) ring motifs.

| S-EPMC3007532 | biostudies-literature

4-(Dimethyl-amino)pyridinium 4-toluene-sulfonate.

Project description:In the title compound, C(7)H(11)N(2) (+)·C(7)H(7)O(3)S(-), the cation is protonated at the N atom of the heterocyclic ring. The dimethyl-amino group lies close to the pyridinium ring plane with a dihedral angle between the pyridinium and the dimethyl-amine CNC planes of 3.82?(17)°. The N-C bond linking the dimethyl-amino substituent to the pyridinium ring is characteristically short [1.3360?(19)?Å], suggesting some delocalization in the cation. In the crystal structure, N-H?O hydrogen bonds link individual pairs of cations and anions. The structure is further stabilized by an extensive series of C-H?O hydrogen bonds, augmented by ?-? [centroid-centroid distance between adjacent pyridinium rings = 3.5807?(10)?Å] and C-H?? inter-actions, giving a network structure.

| S-EPMC2960775 | biostudies-literature

1-(Phthalimidometh-yl)pyridinium p-toluene-sulfonate.

Project description:In the crystal of the title compound, C(14)H(11)N(2)O(2) (+)·C(7)H(7)O(3)S(-), the cation and anion inter-act by way of an aromatic π-π inter-action [centroid-centroid separation = 3.5783 (2) Å] and a T-stacking (C-H⋯π) inter-action between cations. The dihedral angle between the aromatic rings in the cation is 61.73 (8)°. The ionic units are aligned in a zigzag fashion in the b-axis direction.

| S-EPMC2967974 | biostudies-literature

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

Project description: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.

| S-EPMC3569266 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-)·H(2)O, the water mol-ecule acts as an acceptor of bifurcated N-H?O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R(2) (1)(6) ring. The 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions self-assemble via O-H?O hydrogen bonds, leading to supra-molecular chains along the a axis. These chains and R(2) (1)(6) motifs are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, generating an S(6) ring motif.

| S-EPMC3007430 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data