Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Cyano-pyridinium hydrogen sulfate.

ABSTRACT: 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 ?-? stacking inter-actions between the pyridine rings of neighbouring mol-ecules further stabilize the structure [centroid-centroid distance = 3.785?(1)?Å].

SUBMITTER: Wang YC

PROVIDER: S-EPMC3393980 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Cyano-pyridinium hydrogen sulfate.

Wang Ying-Chun YC

Acta crystallographica. Section E, Structure reports online 20120623 Pt 7

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]. ...[more]

PMID: 22798845

Similar Datasets

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-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

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

Project description: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.

| S-EPMC2972122 | biostudies-literature

2-Cyano-quinolin-1-ium hydrogen sulfate.

Project description:The title salt, C(10)H(7)N(2) (+)·HSO(4) (-), is formed by the transfer of a proton from H(2)SO(4) to the N atom of 2-cyano-quinoline during crystallization. The quinoline ring system is approximately planar with a maximum deviation of 0.013?(3)?Å. In the crystal, the cations are linked to the anions via inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds, forming a layered network.

| S-EPMC3009120 | biostudies-literature

A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate.

Project description:THE ASYMMETRIC UNIT OF THE TRICLINIC POLYMORPH OF THE TITLE COMPOUND (SYSTEMATIC NAME: 4-cyano-pyridinium 2,5-dichloro-4-hy-droxy-3,6-dioxocyclo-hexa-1,4-dien-1-olate), C(6)H(5)N(2) (+)·C(6)HCl(2)O(4) (-), consists of two crystallographically independent cation-anion units, in each of which the cation and the anion are linked by an N-H?O hydrogen bond. In the units, the dihedral angles between the cation and anion rings are 78.43?(11) and 80.71?(11)°. In the crystal, each unit independently forms a chain through N-H?O and O-H?N hydrogen bonds; one chain runs along the c axis while the other runs along [011]. Weak C-H?O, C-H?N and C-H?Cl inter-actions are observed between the chains.

| S-EPMC3470192 | biostudies-literature

4-(2H-Tetra-zol-5-yl)pyridinium hydrogen sulfate.

Project description:In the cation of the title compound, C(6)H(6)N(5) (+)·HSO(4) (-), the pyridine and tetra-zole rings are close to being co-planar [dihedral angle = 3.98?(7)°]. In the crystal, the ions are linked by O-H?O, N-H?O and N-H?(O,O) hydrogen bonds, resulting in chains.

| S-EPMC2970296 | biostudies-literature

4-Cyano-pyridinium chloride.

Project description:In the crystal structure of the title salt, C(6)H(5)N(2) (+)·Cl(-), the pyridinium cation links to the Cl(-) anion via an N-H?Cl hydrogen bond. Weak C-H?Cl inter-actions also occur.

| S-EPMC3379218 | biostudies-literature

4-Cyano-pyridinium nitrate.

Project description:The title compound, C(6)H(5)N(2) (+)·NO(3) (-), is a proton-transfer compound between 4-cyano-pyridine and nitric acid. In the asymmetric unit, the components are linked by a strong N-H?O hydrogen bond. In the crystal, mol-ecules are linked into a C(6) chain along [010] by C-H?O inter-actions.

| S-EPMC3379290 | biostudies-literature

4-Cyano-pyridinium bromide.

Project description:In the title compound, C(6)H(5)N(2) (+)·Br(-), the pyridine N atom is protonated and involved in an inter-molecular N-H?Br hydrogen bond which, together with weak C-H?N hydrogen bonds, results in the formation of a chain along the c axis. Weak inter-molecular C-H?Br inter-actions between pyridine H atoms and Br(-) anions connect these chains into a network parallel to the bc plane.

| S-EPMC3379399 | biostudies-literature

2-Cyano-1-methyl-pyridinium nitrate.

Project description:In the title compound, C(7)H(7)N(2) (+)·NO(3) (-), all atoms except the methyl H atoms lie on a crystallographic mirror plane. The inter-layer distance, including that between aligned N atoms from alternating cations and anions in adjacent layers, is exceptionally short at 3.055?(1)?Å. Two-dimensional C-H?O hydrogen-bonded networks link cations to anions, while C-H?N inter-actions link cations within each layer. Anion-? inter-actions with the cations assist in binding the layers together.

| S-EPMC3379252 | 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