Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhu ZB

PROVIDER: S-EPMC3050178 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhu Zhi-Biao ZB Gao Shan S Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

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. ...[more]

PMID: 21522621

Similar Datasets

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

Project description: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.

| S-EPMC3379266 | 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-bromo-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(5)H(6)BrN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-bromo-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. The hy-droxy and carboxyl groups of the anions are involved in intra-molecular O-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal structure, the ions are linked by N-H⋯O and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (110). Adjacent networks are linked via C-H⋯O hydrogen bonds.

| S-EPMC3007841 | 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 π-π 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 π-π 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-(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

3-Hy-droxy-pyridinium-2-carboxylate.

Project description:Comparable to many amino acids, the title compound, C(6)H(5)NO(3), is a substitution product of picolinic acid. The mol-ecule shows approximate non-crystallographic C(s) symmetry. Like many amino acids, the mol-ecule is present in its zwitterionic state. Intra- as well as inter-molecular hydrogen bonds are observed, the latter connecting the mol-ecules into zigzag chains along the crystallographic b axis. An inter-molecular C-C distance of only 3.368?(2)?Å exclusively involving carbon atoms of aromatic rings (centroid-centroid separation = 3.803?Å) is indicative of ?-? inter-actions connecting the mol-ecules into stacks along the crystallographic a axis.

| S-EPMC3213488 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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