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)-adipate-adipic acid-water (2/1/1/2).

ABSTRACT: 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.

SUBMITTER: Karaday? N

PROVIDER: S-EPMC2915349 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Karadayı Nevzat N

Acta crystallographica. Section E, Structure reports online 20071218 Pt 1

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 c ...[more]

PMID: 21200865

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) 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(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 ?-? 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 ?-? 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(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

Adipic acid-2,6-bis-(1H-benzimidazol-2-yl)pyridine-water (1/2/4).

Project description:The asymmetric unit of the title hydrated co-crystal, 2C19H13N5·C6H10O4·4H2O, consists of one 2,6-bis-(1H-benzimidazol-2-yl)pyridine mol-ecule, half of an adipic acid mol-ecule (bis-ected by an inversion center) and two water solvates. In the crystal, N-H?O, O-H?O and O-H?N hydrogen bonds and ?-? inter-actions [centroid-centroid distances = 3.769?(2) and 3.731?(2)?Å] form a three-dimensional supra-molecular structure.

| S-EPMC3589033 | 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

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

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