Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-5-chloro-pyridinium 4-amino-benzoate.

ABSTRACT: In the title molecular salt, C(5)H(6)ClN(2) (+)·C(7)H(6)NO(2) (-), the cations and anions are connected by cation-to-anion and anion-to-anion N-H?O hydrogen bonds into a three-dimensional network. The dihedral angle between the ring and the CO(2) group in the anion is 7.14?(7)°.

SUBMITTER: Kannan V

PROVIDER: S-EPMC3515278 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-5-chloro-pyridinium 4-amino-benzoate.

Kannan V V Sugumar P P Brahadeeswaran S S Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the title molecular salt, C(5)H(6)ClN(2) (+)·C(7)H(6)NO(2) (-), the cations and anions are connected by cation-to-anion and anion-to-anion N-H⋯O hydrogen bonds into a three-dimensional network. The dihedral angle between the ring and the CO(2) group in the anion is 7.14 (7)°. ...[more]

PMID: 23284498

Similar Datasets

2-Amino-5-methyl-pyridinium 4-chloro-benzoate.

Project description:The 4-chloro-benzoate anion of the title salt, C6H9N2(+)·C7H4ClO2(-), is nearly planar with a dihedral angle of 5.14?(16)° between the benzene ring and the carboxyl-ate group. 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 R2(2)(8) ring motif. The ion pairs are further connected via N-H?O and weak C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure also features a ?-? stacking inter-action between the pyridinium and benzene rings with a centroid-centroid distance of 3.7948?(9)?Å.

| S-EPMC3588320 | biostudies-literature

2-Amino-6-methyl-pyridinium 3-chloro-benzoate.

Project description:In the title salt, C6H9N2(+)·C7H4ClO2(-), the 3-chloro-benzoate anion shows a whole-mol-ecule disorder over two positions with a refined occupancy ratio of 0.505?(4):0.495?(4). In the crystal, the cations and anions are linked via N-H?O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R2(2)(8) and R4(2)(8) ring motifs. The crystal structure also features a ?-? stacking inter-action between the pyridinium rings with a centroid-centroid distance of 3.8339?(9)?Å.

| S-EPMC3588495 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-chloro-benzoate.

Project description:In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), the 2-amino-4-methyl-pyridinium cation is almost planar, with a maximum deviation of 0.010?(1)?Å. 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 N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3006694 | biostudies-literature

2-Amino-5-chloro-pyridinium 4-hydroxy-benzoate.

Project description:In the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 7.16?(9)° from the attached ring. In the crystal structure, the cations and anions are linked via O-H?O and N-H?O hydrogen bonds, as well as C-H?O contacts, forming a three-dimensional network. In addition, weak ?-? inter-actions involving the benzene and pyridinium rings, with centroid-to-centroid distances of 3.8941?(9)?Å, are observed.

| S-EPMC2983740 | biostudies-literature

4-Amino-pyridinium 2-chloro-4-nitro-benzoate monohydrate.

Project description:In the title hydrated mol-ecular salt, C5H7N2(+)·C7H3ClNO4(-)·H2O, the ions and water mol-ecules assemble into ribbons of R6(5)(22) rings along the c axis via O(water)-H⋯O(-), N(+)-H⋯O(water) and N-H⋯O(-) hydrogen bonds. N-H⋯O(-) hydrogen bonds connect adjacent ribbons along the c-axis direction via R4(4)(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.

| S-EPMC3588959 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-hy-droxy-5-chloro-benzoate.

Project description:In the 5-chloro-salicylate anion of the title salt, C6H9N2(+)·C7H4ClO3(-), an intra-molecular O-H?O hydrogen bond with an S(6) graph-set motif is observed and the dihedral angle between the benzene ring and the -CO2 group is 1.6?(6)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R2(2)(8) ring motif. The crystal structure also features N-H?O and weak C-H?O inter-actions, resulting in a layer parallel to (10-1).

| S-EPMC3588363 | biostudies-literature

2-Amino-5-bromo-pyridinium 5-chloro-2-hy-droxy-benzoate.

Project description:In the 5-chloro-salicylate anion of the title salt, C5H6BrN2 (+)·C7H4ClO3 (-), 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 1.3?(5)° between the benzene ring and the carboxyl-ate group. In the crystal, the protonated N atom and the 2-amino group of the cation 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 crystal structure also features N-H?O and weak C-H?O inter-actions, resulting in a layer parallel to the (10-1) plane.

| S-EPMC3629591 | biostudies-literature

2-Amino-5-methyl-pyridinium 3-chloro-benzoate.

Project description:The 3-chloro-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), is nearly planar with a dihedral angle of 2.44?(13)° between the benzene ring and the carboxyl-ate group. 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, forming an approximately planar ion pair with a dihedral angle of 7.92?(5)° between the pyridinium and benzene rings. The ion pairs are further connected via N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3515286 | biostudies-other

2-Amino-4,6-dimethyl-pyridinium benzoate.

Project description:In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H?O hydrogen bonds. A ?-? inter-action, with a centroid-centroid distance of 3.661?(2)?Å, is also observed.

| S-EPMC2983164 | biostudies-literature

2,3-Diamino-pyridinium 3-amino-benzoate.

Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The proton-ated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-amino-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The carboxyl-ate mean plane of the 3-amino-benzoate anion is twisted by 8.81?(7)° from the attached ring. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance 3.6827?(7)?Å].

| S-EPMC2977358 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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