Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate.

ABSTRACT: In the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, the hydrogen sulfate ion is linked to the sulfate ion by an O-H?O hydrogen bond. The hydrogen sulfate-sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water mol-ecule, the hydrogen-bonding inter-actions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate-sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio.

SUBMITTER: Xu YM

PROVIDER: S-EPMC2972122 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate.

Xu Ying-Ming YM Gao Shan S Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

In the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, the hydrogen sulfate ion is linked to the sulfate ion by an O-H⋯O hydrogen bond. The hydrogen sulfate-sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water mol-ecule, the hydrogen-bonding inter-actions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate-sulfate species, one of the sulfate groups is disordered in respect of its O ...[more]

PMID: 21578866

Similar Datasets

4-Hydroxy-pyridinium hydrogen sulfate.

Project description:The crystal structure of the title salt, C(5)H(6)NO(+)·HSO(4) (-), consists of planar(r.m.s. deviation = 0.001 Å) 4-hydroxy-pyridinium cations and hydrogen sulfate anions which are hydrogen bonded into a layer motif. In the anion, the S-O bond [1.551 (2) Å] involving the O atom bearing the acid H atom is longer than the other three S-O bonds, which range from 1.437 (1) to 1.454 (1) Å.

| S-EPMC2971937 | biostudies-literature

Bis(4-hydroxy-pyridinium) sulfate monohydrate.

Project description:In the crystal structure of the title salt, 2C(5)H(6)NO(+)·SO(4) (2-)·H(2)O, one planar (r.m.s. deviation = 0.01?Å) cation is stacked approximately over the other [dihedral angle between planes = 8.6?(1)°]. The pyridinium and hydr-oxy H atoms are hydrogen-bond donor atoms to the O atoms of the sulfate anion; the cations, anions and water mol-ecules are consolidated into a three-dimensional network through O-H?O and N-H?O hydrogen bonds.

| S-EPMC2971874 | biostudies-other

3-Hydroxy-pyridinium hydrogen chloranilate monohydrate.

Project description:In the title salt hydrate, C(5)H(6)NO(+)·C(6)HCl(2)O(4) (-)·H(2)O, the three components are held together by O-H?O and N-H?O hydrogen bonds, as well as by C-H?O contacts, forming a double-tape structure along the c axis. Within each tape, the pyridinium ring and the chloranilate ring are almost coplanar, forming a dihedral angle of 2.35?(7)°.

| S-EPMC2971853 | biostudies-other

Tris(2-amino-1,3-thia-zolium) hydrogen sulfate sulfate monohydrate.

Project description:The centrosymmetric crystal structure of the novel semi-organic compound, 3C(3)H(5)N(2)S(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, is based on chains of alternating anions and water mol-ecules (formed by O-H?O hydrogen bonds). The chains are inter-connected with the 2-amino-1,3-thia-zolium cations via strong N-H?O and weak C-H?O hydrogen-bonding inter-actions into a three-dimensional network.

| S-EPMC3238880 | biostudies-other

Bis(4-amino-pyridinium) sulfate monohydrate.

Project description:The asymmetric unit of the title compound, 2C(5)H(7)N(2) (+)·SO(4) (2-)·H(2)O, contains two 4-amino-pyridinium cations (A and B), a sulfate dianion and a water mol-ecule. One of the 4-amino-pyridinium cations (B) is disordered over two orientations with refined site occupancies of 0.568 (4) and 0.432 (4). The non-H atoms of the 4-amino-pyridinium cations are essentially coplanar, with a maximum deviation of 0.055 (1) Å (in cation A), 0.022 (3) Å (for the major component in cation B) and 0.009 (3) Å (for the minor component in cation B). In the crystal, the sulfate O atoms link the 4-amino-pyridinium cations and water mol-ecules into a three-dimensional network via inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. The crystal structure is further consolidated by N-H⋯O(water) and C-H⋯O(water) hydrogen bonds.

| S-EPMC3007857 | biostudies-literature

2-(Ammonio-meth-yl)pyridinium sulfate monohydrate.

Project description:In the crystal of the title hydrated molecular salt, C(6)H(10)N(2) (2+)·SO(4) (2-)·H(2)O, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane. C-H⋯O hydrogen bonds are observed both within these layers and between mol-ecules and ions in adjacent layers.

| S-EPMC3297955 | biostudies-literature

4-Acetyl-pyridinium hydrogen sulfate.

Project description:The crystal structure of the title compound, C(7)H(8)NO(+)·HSO(4) (-), consists of O-H?Ohydrogen-bonded extended chains of hydrogen sulfate anions. Each hydrogen sulfate anion is furthermore connected to one 4-acetyl-pyridinium cation via a hydrogen bond of the N-H?O type.

| S-EPMC2970273 | biostudies-literature

4-Cyano-pyridinium hydrogen sulfate.

Project description:All non-H atoms of the cation of the title salt, C(6)H(5)N(2) (+)·HSO(4) (-), are essentially coplanar [r.m.s. deviation = 0.005 (1) Å] . In the crystal, N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯N inter-actions link the mol-ecules into a two-dimensional network parallel to the (001) plane. Weak π-π stacking inter-actions between the pyridine rings of neighbouring mol-ecules further stabilize the structure [centroid-centroid distance = 3.785 (1) Å].

| S-EPMC3393980 | biostudies-literature

2-Amino-3-methyl-pyridinium 2-amino-5-methyl-pyridinium sulfate monohydrate.

Project description:The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak ?-? stacking inter-actions, with centroid-centroid distances of 3.758?(2) and 3.774?(1)?Å.

| S-EPMC2972034 | biostudies-literature

Phenazin-5-ium hydrogen sulfate monohydrate.

Project description:The crystal structure of the title salt, C12H9N2 (+)·HSO4 (-)·H2O, comprises inversion-related pairs of phenazinium ions linked by C-H⋯N hydrogen bonds. The phenazinium N-H atoms are hydrogen bonded to the bis-ulfate anions. The bis-ulfate anions and water mol-ecules are linked by O-H⋯O hydrogen-bonding inter-actions into a structural ladder motif parallel to the a axis.

| S-EPMC3629511 | 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