Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Raissi Shabari A

PROVIDER: S-EPMC2983748 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Raissi Shabari Akbar A Safaeimovahed Maryam M Pourayoubi Mehrdad M

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

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 ...[more]

PMID: 21580321

Similar Datasets

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) bis-(pyridine-2,6-dicarboxyl-ato)zincate(II) monohydrate.

Project description:In the title hydrated mol-ecular salt, (C(5)H(8)N(3))(2)[Zn(C(7)H(3)NO(4))(2)]·H(2)O, the Zn(II) atom is coordinated by two O,N,O'-tridentate pyridine-2,6-dicarboxyl-ate dianions, generating a slightly distorted trans-ZnN(2)O(4) octa-hedral coordination geometry for the metal ion. In the crystal, a network of O-H?O, N-H?O and C-H?O hydrogen bonds involving the cations, anions and water mol-ecules results in a three-dimensional network.

| S-EPMC3120536 | biostudies-literature

Bis(2,6-diamino-pyridinium) tartrate monohydrate.

Project description:In the title compound, 2C(5)H(8)N(3) (+)·C(4)H(4)O(6) (2-)·H(2)O, the two cations are essentially planar [maximum deviations = 0.023?(1) and 0.026?(1)?Å]. In one of the cations, the protonated N atom and one of the amino group H atoms are hydrogen bonded to one of the carboxyl groups of the dianion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal structure, the tartrate anions and water mol-ecules are linked into chains along the c axis by inter-molecular O-H?O and C-H?O hydrogen bonds. The cations further link the anions and water mol-ecules into a three-dimensional extended structure by a network of N-H?O hydrogen bonds. The crystal structure is also stabilized by weak inter-molecular ?-? inter-actions [centroid-centroid distance = 3.6950?(6)?Å].

| S-EPMC2971208 | biostudies-other

Bis(2,3-diamino-pyridinium) phthalate dihydrate.

Project description:The complete anion of the title hydrated mol-ecular salt, 2C(5)H(8)N(3) (+)·C(8)H(4)O(4) (-)·2H(2)O, is generated by a crystallographic twofold axis. In the crystal, the cations, anions and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features C-H?? inter-actions.

| S-EPMC3275077 | biostudies-literature

Bis(2,6-diamino-3,5-dibromo-pyridinium) hexa-bromidostannate(IV).

Project description:The asymmetric unit of the title compound, (C(5)H(6)Br(2)N(3))(2)[SnBr(6)], contains one cation and one half-anion in which the Sn atom is located on a crystallographic centre of inversion and is in a quasi-octa-hedral geometry. The crystal structure is assembled via hydrogen-bonding inter-actions of two kinds, N(pyridine/amine)-H⋯Br-Sn, along with C-Br⋯Br-Sn interactions [3.4925 (19) Å]. The cations are involved in π-π stacking, which adds an extra supra-molecularity as it presents a strong case of offset-face-to-face motifs [centroid-centroid distance = 3.577 (3) Å]. The inter-molecular hydrogen bonds, short Br⋯Br inter-actions and π-π stacking result in the formation of a three-dimensional supra-molecular architecture.

| S-EPMC2977624 | biostudies-literature

Tetra-kis(2,6-diamino-pyridinium) diphthalate 2,6-diamino-pyridine.

Project description:In the title compound, 4C(5)H(8)N(3) (+)·2C(8)H(4)O(4) (2-)·C(5)H(7)N(3), the asymmetric unit consists of two protonated diamino-pyridine cations, one phthalate anion and one half of a diamino-pyridine mol-ecule, which has twofold rotation symmetry and is disordered over two positions with a site-occupancy ratio of 0.534?(3):0.466?(3). In the disordered structure, both pyridine rings are essentially planar, with maximum deviations of 0.011?(2) and 0.006?(2)?Å, and these two rings are inclined to one another at a dihedral angle of 79.86?(10)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the ions and mol-ecules into a three-dimensional network. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971263 | 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

2,6-Diamino-pyridinium dihydrogen phosphate.

Project description:In the crystal structure of the title compound, C(5)H(8)N(3) (+)·H(2)PO(4) (-), N-H⋯O hydrogen bonds, involving the unprotonated amino-group and the NH(+) group in the pyridinium ring and dihydrogenphosphate O atoms, link the cations and anions. A long chain-like stacking of dihydrogenphosphate anions along the c-axis direction is constructed by O-H⋯O hydrogen bonds. Also along the c-axis direction, π-π stacking between inversion-related pyridinium rings [centroid-centroid distance = 3.8051 (10) Å] forms columnar stacks of cations.

| S-EPMC3435763 | biostudies-literature

Bis(2,6-diamino-pyridinium)-adipate-adipic acid-water (2/1/1/2).

Project description:The crystal structure of the title compound, 2C(5)H(8)N(3) (+)·C(6)H(8)O(4) (2-)·C(6)H(10)O(4)·2H(2)O, consists of amino-pyridinium cations, adipate dianions, adipic acid mol-ecules and disordered solvent water mol-ecules [occupancies 0.50 (4) and 0.50 (4)]. Both the adipate and adipic acid are located across inversion centres. Eight-membered hydrogen-bonded rings exist involving amino-pyridinium and adipate ions. Adipic acid mol-ecules and adipate anions are linked into zigzag supra-molecular chains by O-H⋯O hydrogen bonds.

| S-EPMC2915349 | 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

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