Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-5-chloro-pyridinium 4-carb-oxy-butano-ate.

ABSTRACT: In the title salt, C(5)H(6)ClN(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-chloro-pyridinium cation is essentially planar, with a maximum deviation of 0.010?(3)?Å. In the crystal structure, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the bc plane. In the layer, the hydrogen glutarate anions self-assemble via O-H?O hydrogen bonds, forming a supra-molecular chain along the c axis. Furthermore, the cations and anions are stacked down along the a axis, forming a three-dimensional network.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3007307 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Amino-5-chloro-pyridinium 4-carb-oxy-butano-ate.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100714 Pt 8

In the title salt, C(5)H(6)ClN(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-chloro-pyridinium cation is essentially planar, with a maximum deviation of 0.010 (3) Å. In the crystal structure, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a layer parallel to the bc plane. In t ...[more]

PMID: 21588322

Similar Datasets

4-Amino-pyridinium 4-carb-oxy-butano-ate.

Project description:The asymmetric unit of the title salt, C(5)H(7)N(2) (+)·C(5)H(7)O(4) (-), contains two 4-amino-pyridinium cations and two 4-carb-oxy-butano-ate anions. Each 4-amino-pyridinium cation is planar, with a maximum deviation of 0.005?(2)?Å. Both 4-carb-oxy-butano-ate anions adopt an extended conformation. In the crystal structure, the cations and anions are linked via N-H?O, O-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3007404 | biostudies-literature

2-Amino-5-methyl-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title salt, C(6)H(9)N(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.008?(1)?Å. In the crystal, the protonated N atom and the 2-amino group are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The 4-carb-oxy-butano-ate anions are linked via O-H?O hydrogen bonds. The crystal structure is further stabilized by weak C-H?O inter-actions.

| S-EPMC3006734 | biostudies-literature

2,3-Diamino-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(5)H(7)O(4) (-), the 2,3-diamino-pyridine mol-ecule is protonated at the pyridine N atom. The cation is essentially planar, with a maximum deviation of 0.015?(2)?Å, and the anion adopts an extended conformation. In the crystal, the hydrogen glutarate (4-carb-oxy-butano-ate) anions are self-assembled through O-H?O hydrogen bonds, forming chains. The cations are connected to the anion chains via N-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features aromatic ?-? inter-actions between the pyridinium cations, with a centroid-centroid distance of 3.4464?(10)?Å.

| S-EPMC3247507 | biostudies-literature

2,6-Di-amino-4-chloro-pyrimidinium 4-carb-oxy-butano-ate.

Project description:In the title mol-ecular salt, C4H6ClN4 (+)·C5H7O4 (-), the cation is essentially planar, with a maximum deviation of 0.037?(1)?Å for all non-H atoms. The anions are self-assembled through O-H?O hydrogen bonds, forming a supra-molecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds with an R 2 (2)(8) ring motif. This motif further self-organizes through N-H?O and O-H?O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R 3 (2)(8), R 2 (2)(8), R 4 (2)(8), R 2 (2)(8) and R 3 (2)(8). In addition, another type of R 2 (2)(8) motif is formed by inversion-related pyrimidinium cations via N-H?N hydrogen bonds, forming a two-dimensional network parallel to (101).

| S-EPMC4158549 | biostudies-literature

2-Amino-5-bromo-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title salt, C(5)H(6)BrN(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-bromo-pyridinium cation is essentially planar, with a maximum deviation of 0.005?(3)?Å. In the crystal structure, the proton-ated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. In the network, the hydrogen glutarate (4-carb-oxy-butano-ate) anions self-assemble through O-H?O hydrogen bonds, forming a supra-molecular chain along the c axis.

| S-EPMC3007480 | biostudies-other

2-Amino-5-chloro-pyridinium 2-carb-oxy-acetate.

Project description:The title salt, C(5)H(6)ClN(2) (+)·C(3)H(3)O(4) (-), contains two cations and two anions in the asymmetric unit. Both 2-amino-5-chloro-pyridinium ions are protonated at their pyridine N atoms and both hydrogen malonate ions feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring motif and results in a folded conformation. In the crystal structure, the cations and anions are linked via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming chains propagating in [010], which are cross-linked by further C-H⋯O inter-actions.

| S-EPMC2979552 | biostudies-literature

rac-2-Amino-pyridinium cis-2-carb-oxy-cyclo-hexane-1-carboxyl-ate.

Project description:In the structure of the title compound, C(5)H(7)N(2) (+)·C(8)H(11)O(4) (-), the cis anions associate through head-to-tail carb-oxy-lic acid-carboxyl O-H?O hydrogen bonds [graph set C(7)], forming chains which extend along c and are inter-linked through the carboxyl groups, forming cyclic R(2) (2)(8) associations with the pyridinium and an amine H-atom donor of the cation. Further amine-carboxyl N-H?O inter-actions form enlarged centrosymmetric rings [graph set R(4) (4)(18)] and extensions down b, giving a three-dimensional structure.

| S-EPMC3212294 | biostudies-literature

2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate sesquihydrate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O, extensive O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, as well as ion pairing, ?-? stacking inter-actions [centroid-centroid distances = 3.4690?(8) and 3.6932?(8)?Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter-actions between water mol-ecules, which result in cyclic tetra-meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the -CO(2) and -CO(2)H groups make torsion angles of 1.73?(18) and -12.14?(18)° with respect to the ring.

| S-EPMC3011762 | biostudies-literature

Crystal structure of 3-amino-pyridinium 1'-carb-oxy-ferrocene-1-carboxyl-ate.

Project description:The structure of the title salt, (C5H7N2)[Fe(C6H4O2)(C6H5O2)], consists of 3-amino-pyridinium cations and 1'-carb-oxy-ferrocene-1-carboxyl-ate monoanions. The ferrocenyl moiety of the anion adopts a typical sandwich structure, with Fe-C distances in the range 2.0270 (15)-2.0568 (17) Å. The anion possesses an eclipsed conformation, with the torsion angle φ (Csubst-Cpcent-Cpcent- Csubst) equal to 66.0°. The conformations of other 1'-carb-oxy-ferrocene-1-carboxyl-ate monoanions are compared and analyzed on the basis of literature data.

| S-EPMC5458309 | biostudies-literature

2-Amino-5-chloro-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. In both anions, the O atoms of the sulfonate group are disordered over two sets of positions, with occupancy ratios of 0.47 (5):0.53 (5) and 0.50 (8):0.50 (8). In each anion, an intra-molecular O-H⋯O hydrogen bond generating an S(6) motif is observed. In the crystal structure, the cations and anions are linked via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (110). The structure is further stabilized by π-π inter-actions between cations and anions [centroid-centroid distance = 3.5454 (12) Å]. The crystal studied was a non-merohedral twin, with a ratio of the twin components of 0.715 (3):0.285 (3).

| S-EPMC3008044 | 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