Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-pyrimidinium 4-hy-droxy-pyridinium-2,6-dicarboxyl-ate monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(4)H(6)N(3) (+)·C(7)H(4)NO(5) (-)·H(2)O, inter-molecular N-H?N, N-H?O and O-H?O hydrogen bonds link the cations and anions into almost planar sheets parallel to (102). These hydrogen-bonded sheets are packed into the crystal with the formation of centrosymmetric voids of 68?Å(3), which are filled by the water mol-ecules, each of which is disordered over four positions.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC3008026 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-pyrimidinium 4-hy-droxy-pyridinium-2,6-dicarboxyl-ate monohydrate.

Eshtiagh-Hosseini Hossein H Mahjoobizadeh Milad M Mirzaei Masoud M

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

In the crystal structure of the title compound, C(4)H(6)N(3) (+)·C(7)H(4)NO(5) (-)·H(2)O, inter-molecular N-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds link the cations and anions into almost planar sheets parallel to (102). These hydrogen-bonded sheets are packed into the crystal with the formation of centrosymmetric voids of 68 Å(3), which are filled by the water mol-ecules, each of which is disordered over four positions. ...[more]

PMID: 21588581

Similar Datasets

Intra- and inter-molecular proton transfer in 2,6-diamino-pyridinium 4-hy-droxy-pyridin-1-ium-2,6-dicarboxyl-ate.

Project description:Chelidamic acid (4-hy-droxy-pyridine-2,6-dicarb-oxy-lic acid) and 2,6-diamino-pyridine react to form the title salt, C(5)H(8)N(3) (+)·C(7)H(4)NO(5) (-); there are two formula units in the asymmetric unit. The pyridine N atom of 2,6-diamino-pyridine is protonated whereas chelidamic acid is deprotonated at both carboxyl-ate groups but protonated at the N atom; the reaction involves intra- and inter-molecular proton transfer. In the crystal, each 2,6-diamino-pyridinium cation participates in five strong N-H⋯O hydrogen bonds (including one bifurcated hydrogen bond). The crystal structure also features strong O-H⋯O hydrogen bonds between the chelidamate anions, leading to chains along the a axis.

| S-EPMC3470218 | biostudies-literature

Hexaaqua-magnesium(II) bis-(pyridinium-2,6-dicarboxyl-ate).

Project description:In the title compound, [Mg(H(2)O)(6)](C(7)H(4)NO(4))(2), a single six-coordinate Mg(2+) cation (site symmetry 2/m) is bonded to six water mol-ecules in a distorted octa-hedral geometry. The crystal packing between the complex cation and the zwitterionic organic cation (m symmetry) is stabilized by inter-molecular O-H?O hydrogen bonds and weak inter-molecular C-H?O inter-actions.

| S-EPMC3011450 | biostudies-literature

2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate.

Project description:In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (-)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl-benzoate anion is 82.04?(14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42?(14) and 82.04?(14)°. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating a three-dimensional network with R(2) (2)(8), R(6) (6)(16) and R(4) (4)(6) motifs. The crystal packing is further stabilized by two ?-? inter-actions, one between pyridinium rings, and another between the benzene benzoate and pyridinium rings of neighbouring mol-ecules, with centroid-to-centroid distances of 3.559?(2) and 3.606?(2)?Å, respectively.

| S-EPMC3295483 | biostudies-literature

4-Amino-3,5-di-chloro-pyridinium 3-hy-droxy-pico-linate monohydrate.

Project description:In the title hydrated salt, C5H5Cl2N2 +·C6H4NO3 -·H2O, the pyridine N atom of the cation is protonated and an intra-molecular O-H⋯O hydrogen bond is observed in the anion, which generates an S(6) ring. The crystal packing features N-H⋯N, O-H⋯O, N-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds, which generate a three-dimensional network.

| S-EPMC10561231 | biostudies-literature

2-Amino-5-methyl-pyridinium 3-hy-droxy-pyridine-2-carboxyl-ate.

Project description:In the 3-hy-droxy-picolinate anion of the title salt, C6H9N2 (+)·C6H4NO3 (-), an intra-molecular O-H⋯O hydrogen bond with an S(6) graph-set motif is formed, so that the anion is essentially planar, with a dihedral angle of 9.55 (9)° between the pyridine ring and the carboxyl-ate group. In the crystal, the cations and anions are linked via N-H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R 2 (2)(8) and R 4 (2)(8) ring motifs. The crystal structure also features N-H⋯N and weak C-H⋯π inter-actions.

| S-EPMC3770389 | biostudies-literature

Dimethyl 4-(4-hy-droxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(17)H(19)NO(5), was prepared by a Hantzsch dihydro-pyridine synthesis from 4-hy-droxy-benzaldehyde, methyl acetoacetate and NH(4)HCO(3). In the mol-ecular structure of the title compound, the dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 80.8 (2)° with the aromatic six-membered ring. The packing is stabilized by strong inter-molecular N-H⋯O(carbon-yl), O(hydrox-y)-H⋯O(carbon-yl) and weak intra-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200733 | 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

3-(Amino-carbon-yl)pyridinium diaqua-bis-(pyridine-2,6-dicarboxyl-ato)bis-muthate(III) monohydrate.

Project description:The asymmetric unit of the ionic title compound, (C(6)H(7)N(2)O)[Bi(C(7)H(3)NO(4))(2)(H(2)O)(2)]·H(2)O or (acpyH)[Bi(pydc)(2)(H(2)O)(2)]·H(2)O, contains an [Bi(pydc)(2)(H(2)O)(2)](-) anion (where pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid), a protonated 3-(amino-carbon-yl)pyridine as counter-ion, (acpyH)(+), and one uncoordinated water mol-ecule. The anion is an eight-coordinate complex with a square-anti-prismatic geometry around the Bi(III) atom. In the crystal, extensive O-H?O and N-H?O hydrogen bonds, as well as ion pairing, C=O?? inter-actions [O?centroid distance = 3.583?(5)?Å], ?-? stacking [centroid-centroid distance = 3.864?(3)?Å], and C-H?? and C-H?O inter-actions, play an important role in the formation and stabilization of the three-dimensional supra-molecular structure.

| S-EPMC3393208 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-)·H(2)O, the water mol-ecule acts as an acceptor of bifurcated N-H?O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R(2) (1)(6) ring. The 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions self-assemble via O-H?O hydrogen bonds, leading to supra-molecular chains along the a axis. These chains and R(2) (1)(6) motifs are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, generating an S(6) ring motif.

| S-EPMC3007430 | biostudies-literature

Bis(2-hy-droxy-ethanaminium) biphenyl-4,4'-dicarboxyl-ate.

Project description:In the title compound, 2C(2)H(8)NO(+)·C(14)H(8)O(4) (2-), the dihedral angle between the benzene rings of the dianion is 9.95?(12)°. In the crystal, the cations and anions are linked via inter-molecular O-H?O and N-H?O hydrogen bonds, generating layers lying parallel to (001).

| S-EPMC3120332 | 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