Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(3-hydroxy-pyridinium) fumarate.

ABSTRACT: 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)°.

SUBMITTER: Shen L

PROVIDER: S-EPMC2969193 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(3-hydroxy-pyridinium) fumarate.

Shen Lan L Li Jun-Hua JH Nie Jing-Jing JJ Xu Duan-Jun DJ

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

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)°. ...[more]

PMID: 21582938

Similar Datasets

Bis(2-amino-5-bromo-pyridinium) fumarate dihydrate.

Project description:In the title compound, 2C(5)H(6)BrN(2) (+)·C(4)H(2)O(4) (2-)·2H(2)O, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is approximately planar, with a maximum deviation of 0.036 (1) Å. In the anion, the carboxyl-ate group is twisted slightly away from the attached plane; the dihedral angle between carboxyl-ate and (E)-but-2-ene planes is 6.11 (14)°. In the crystal, the carboxyl-ate O atoms form bifurcated (N-H⋯O and C-H⋯O) and N-H⋯O hydrogen bonds with the cations. The crystal packing is stabilized by R(2) (2)(8) ring motifs which are generated by pairs of N-H⋯O hydrogen bonds. The crystal structure is further consolidated by water mol-ecules via O(water)-H⋯O and N-H⋯O(water) hydrogen bonds. The components are linked by these inter-actions into three-dimensional network.

| S-EPMC3007988 | biostudies-literature

Bis-(2-amino-5-methyl-pyridinium) fumarate-fumaric acid (1/1).

Project description:In the crystal structure of the title compound, C(6)H(9)N(2) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(6)O(4), the fumarate dianion and fumaric acid mol-ecule are located on inversion centres. The 2-amino-5-methyl-pyrimidinium cation inter-acts with the carboxyl-ate group of the fumarate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. These motifs are centrosymmetrically paired via N-H?O hydrogen bonds, forming a complementary DDAA array. The carboxyl groups of the fumaric acid mol-ecules and the carboxyl-ate groups of the fumarate anions are hydrogen bonded through O-H?O hydrogen bonds, leading to a supra-molecular chain along [101]. The crystal structure is further stabilized by weak C-H?O hydrogen bonds.

| S-EPMC3007292 | 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

Bis[(E)-4-(hydroxy-imino-meth-yl)pyridinium] oxalate.

Project description:The formula unit of the title compound, 2C(6)H(7)N(2)O(+)·C(2)O(4) (2-), comprises two symmetry-equivalent 4-(hydroxy-imino-meth-yl)-pyridinium cations on general positions, linked through hydrogen bonding via an oxalate anion that resides on a crystallographic centre of symmetry. The crystal structure consists of infinite chains of cations and oxalate anions directed by O-H?O and multicentre N-H?O inter-molecular hydrogen-bonding inter-actions.

| S-EPMC2915244 | biostudies-other

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

N,N'-Bis(2-hydroxy-ethyl)-N,N'-[ethyl-ene-dioxy-bis(o-phenyl-enemethyl-ene)]-diammonium fumarate tetra-hydrate.

Project description:The reaction of 1,2-bis-{2-[(2-hydroxy-ethyl)amino-methyl]-phen-oxy}ethane and fumaric acid in a mixed solution in ethanol-water (1:1 v/v) yields the title compound, C(20)H(30)N(2)O(4) (2+)·C(4)H(2)O(4) (2-)·4H(2)O. In the crystal structure, the anions, cations and water mol-ecules are connected via O-H?O and N-H?O hydrogen bonds into a three-dimensional network. The fumarate anion and the N,N'-bis-(2-hydroxy-ethyl)-N,N'-[ethyl-enedioxy-bis(o-phenyl-enemethylene)]diammonium cation are located on centers of inversion, whereas the two crystallographically independent water mol-ecules occupy general positions.

| S-EPMC2959538 | biostudies-literature

2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)ferrate(III) dihydrate.

Project description:The reaction of iron(II) sulfate hepta-hydrate with the proton-transfer compound (pydaH)(hypydcH) (pyda = pyridine-2,6-diamine; hypydcH(2) = 4-hydroxy-pyridine-2,6-dicarboxylic acid) in an aqueous solution led to the formation of the title compound, (C(5)H(8)N(3))[Fe(C(7)H(3)NO(5))(2)]·2H(2)O. The anion is a six-coordinated complex with a distorted octa-hedral geometry around the Fe(III) atom. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, involving the complex anion, (pydaH)(+) counter-ion and two uncoordinated water mol-ecules, and ?-? [centroid-to-centroid distance 3.323?(11)?Å] and C-O?? [O-centroid distance 3.150?(15)?Å] inter-actions connect the various components into a supra-molecular structure.

| S-EPMC2959321 | biostudies-literature

2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)chromate(III) dihydrate.

Project description:The reaction of chromium(III) nitrate hexa-hydrate, pyridine-2,6-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(5)H(8)N(3))[Cr(C(7)H(3)NO(5))(2)]·2H(2)O or (pydaH)[Cr(hypydc)(2)]·2H(2)O (where pyda is pyridine-2,6-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). Each Cr(III )atom is hexa-coordinated by four O and two N atoms from two (hypydc)(2-) fragments, which act as tridentate ligands, in a distorted octa-hedral geometry. The O-Cr-O-C torsion angles between the two planes of the (hypydc)(2-) fragments [-99.81?(17) and 97.77?(17)°] indicate that these two units are almost perpendicular to one another. In the crystal structure, extensive O-H?O, N-H?O and C-H?O hydrogen bonds with D?A distances ranging from 2.560?(2) to 3.279?(3)?Å, ion pairing, C-O?? [O?? = 3.166?(2)?Å] and ?-? stacking inter-actions between (hypydc)(2-) and (pydaH)(+) rings [with a centroid-centroid distance of 3.3353?(14)?Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2960621 | biostudies-literature

2-(Hydroxy-meth-yl)pyridinium chloride.

Project description:In the title molecular salt, C(6)H(8)NO(+)·Cl(-), the packing is consolidated by N-H?Cl and O-H?Cl hydrogen bonds, resulting in the formation of [010] chains of alternating cations and anions.

| S-EPMC2959576 | biostudies-literature

2-Amino-pyridinium 4-hydroxy-benzoate.

Project description:In the title compound, C(5)H(7)N(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 8.78?(5)° from the attached ring. The cations and anions are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. In addition, ?-? inter-actions involving the benzene and pyridinium rings, with centroid-centroid distances of 3.5500?(6) and 3.6594?(6)?Å, are observed.

| S-EPMC2959658 | 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