Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Hydroxy-pyridinium hydrogen chloranilate monohydrate.

ABSTRACT: 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)°.

SUBMITTER: Gotoh K

PROVIDER: S-EPMC2971853 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-Hydroxy-pyridinium hydrogen chloranilate monohydrate.

Gotoh Kazuma K Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20091111 Pt 12

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)°. ...[more]

PMID: 21578790

Similar Datasets

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

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(2,6-diamino-pyridinium) bis-(hydrogen oxalate) monohydrate.

Project description:The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (-)·H(2)O, contains two crystallographically independent 2,6-diamino-pyridinium cations, a pair of hydrogen oxalate anions and a water mol-ecule. Both 2,6-diamino-pyridinium cations are planar, with maximum deviations of 0.011?(2) and 0.015?(1)?Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01?(11) and 63.48?(11)°. In the crystal, the cations, anions and water mol-ecules are linked via O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3052081 | biostudies-literature

Bis(2,6-diamino-pyridinium) hydrogen phthalate nitrate monohydrate.

Project description:The title hydrated salt, 2C(5)H(8)N(3) (+)·C(8)H(5)O(4) (-)·NO(3) (-)·H(2)O, was obtained fortuitously from the reaction between 2,6-diamino-pyridine, phthalic acid and Co(NO(3))(2)·6H(2)O at 343?K. The asymmetric unit consists of two crystallographically independent 2,6-diamino-pyridinium cations, a hydrogen phthalate anion, a nitrate ion and a water mol-ecule of crystallization which in the crystal structure are linked by inter-molecular O-H?O and N-H?O hydrogen bonds into a three-dimensional network. In the hydrogen phthalate anion, there is a very strong intra-molecular O-H?O hydrogen bond.

| S-EPMC2983748 | biostudies-literature

Bis(4-amino-pyridinium) bis(hydrogen oxalate) monohydrate.

Project description:In the title compound, 2C(5)H(7)N(2) (+)·2C(2)HO(4) (-)·H(2)O, the asymmetric unit consists of an amino-pyridinium cation, an oxalic actetate anion and a half-molecule of water, which lies on a two-fold rotation axis. The crystal packing is consolidated by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. The mol-ecules are linked into an infinite one dimensional chain along [010].

| S-EPMC2968938 | 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

4-[2-(Hydrogen phosphonato)-2-hydroxy-2-phosphonoethyl]pyridinium.

Project description:The title compound, C(7)H(11)NO(7)P(2), exists as a zwitterion in which the positive charge resides on the protonated pyridyl N atom and the negative charge on one of the two phosphate groups. In the crystal, adjacent molcules are linked by O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3099945 | biostudies-literature

4-(3-Eth-oxy-4-hydroxy-styr-yl)-1-methyl-pyridinium tosyl-ate monohydrate.

Project description:In the title compound, C(16)H(18)NO(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the pyridyl and benzene rings of the pyridinium cation is 0.2 (1)°. The benzene ring of the tosyl-ate anion makes a dihedral angle of 4.8 (2)° with the best mean plane of the pyridinium cation. The pyridinium cation and the tosyl-ate anion are hydrogen bonded to the water mol-ecule, and the crystal packing is further stabilized by inter-molecular C-H⋯O and π-π inter-actions [centroid-centroid separations of 3.648 (3) and 3.594 (2) Å.

| S-EPMC2967981 | biostudies-literature

Bis(3-hydroxy-pyridinium) fumarate.

Project description:The crystal structure of the title compound, 2C(5)H(6)NO(2) (+)·C(4)H(2)O(4) (2-), consists of 3-hydroxy-pyridinium cations and fumarate dianions. The dianion is located on an inversion center and the cation is linked to it by O-H?O and N-H?O hydrogen bonds. The cation is twisted with respect to the anion by 24.83?(5)°.

| S-EPMC2969193 | biostudies-literature

1-Tetra-decyl-pyridinium bromide monohydrate.

Project description:In the title compound, C(19)H(34)N(+)·Br(-)·H(2)O, the dihedral angle between the trans-planar alkyl side chain and the pyridinium ring is 52.73?(7)°. In the crystal structure, O-H?Br, C-H?Br and C-H?O hydrogen bonds form a network, while the hydro-phobic alkyl chains inter-digitate, forming bilayers.

| S-EPMC2960014 | 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