Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2979552 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

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 ...[more]

PMID: 21579558

Similar Datasets

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

Project description:In the title mol-ecular salt, C(6)H(9)N(2) (+)·C(3)H(3)O(4) (-), the cation is essentially planar, with a maximum deviation of 0.010?(3)?Å. In the anion, an intra-molecular O-H?O hydrogen bond generates an S(6) ring and results in a folded conformation. In the crystal, the protonated NH group 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. Weak inter-molecular C-H?O inter-actions help to further stabilize the crystal structure.

| S-EPMC2979470 | 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

4-Chloro-anilinium 2-carb-oxy-acetate.

Project description:In the title molecular salt, C(6)H(7)ClN(+)·C(3)H(3)O(4) (-), the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, leading to a two-dimensional network parallel to the bc plane. Weak C-H⋯O inter-actions are also observed.

| S-EPMC3393895 | biostudies-literature

2-Amino-3-carb-oxy-pyridinium perchlorate.

Project description:The asymmetric unit includes two crystallographically independent equivalents of the title salt, C(6)H(7)N(2)O(2) (+)·ClO(4) (-). The cations and anions form separate layers alternating along the c axis, which are linked by N-H?O, O-H?O and C-H?O hydrogen bonds into a two-dimensional network parallel to (100). Further C-H?O contacts connect these layers, forming a three-dimensional network, in which R(4) (4)(20) rings and C(2) (2)(11) infinite chains can be identified.

| S-EPMC3379211 | biostudies-literature

2-Amino-3-carb-oxy-pyridinium nitrate.

Project description:In the crystal structure of the title compound, C(6)H(7)N(2)O(2) (+)·NO(3) (-), the cations are linked via C-H?O hydrogen bonds, forming infinite chains running along the b axis. These chains are further linked through N-H?O, O-H?O and C-H?O hydrogen bonds to the nitrate anions, forming well-separated infinite planar layers parallel to (001).

| S-EPMC3213504 | biostudies-literature

2-Amino-5-chloro-pyridinium (Z)-3-carb-oxy-prop-2-enoate 0.25-hydrate.

Project description:In the title hydrated salt, C(5)H(6)ClN(2) (+)·C(4)H(3)O(4) (-)·0.25H(2)O, the water O atom lies on a twofold axis with 0.25 occupancy. The 2-amino-5-chloro-pyridinium cation is almost planar, with a maximum deviation of 0.015 (3) Å. In the hydrogen malate anion, an intra-molecular O-H⋯O hydrogen bond generates an S(7) ring and results in a folded conformation. 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, 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 layers parallel to the ab plane which stack down the c axis.

| S-EPMC3008003 | biostudies-literature

2-Amino-5-chloro-pyridinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (3/1).

Project description:The asymmetric unit of the title compound, 3C(5)H(6)ClN(2) (+)·3C(8)H(5)O(4) (-)·C(8)H(6)O(4), contains three independent 2-amino-5-chloro-pyridinium cations, three independent hydrogen phthal-ate anions and one phthalic acid mol-ecule. In the crystal structure, there are two kinds of supra-molecular tapes. One is formed by two independent cations with two anions through N-H⋯O and C-H⋯O hydrogen bonds. Another one is formed by the other cation and anion, and the phthalic acid mol-ecule via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds. These two tapes are connected by an O-H⋯O hydrogen bond, forming a double-tape structure.

| S-EPMC2983198 | biostudies-literature

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

Project description: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.

| S-EPMC3007307 | biostudies-other

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-3-carb-oxy-pyridinium chloride hemihydrate.

Project description:The asymmetric unit of the title compound, C(6)H(7)N(2)O(2) (+)·Cl(-)·0.5H(2)O, consists of two protonated 2-amino-3-carb-oxy-pyridine cations, two chloride anions and one mol-ecule of water. The crystal packing can be described as alternating layers of cations and anions parallel to (110), which are linked together by O(w)-H?Cl inter-actions. In the crystal, four types of classical hydrogen bonds are observed, viz. cation-anion (O-H?Cl and N-H?Cl), cation-cation (N-H?O), cation-water (N-H?O(w)) and water-anion (O(w)-H?Cl), resulting in the formation of an infinite three-dimensional network.

| S-EPMC3344603 | 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