Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the nitro group of the 4-nitro-benzoate anion is twisted by 6.2?(2)° from the attached ring. In the crystal structure, the cations and anions are linked via strong N-H?O and weak C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2983711 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100213 Pt 3

In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the nitro group of the 4-nitro-benzoate anion is twisted by 6.2 (2)° from the attached ring. In the crystal structure, the cations and anions are linked via strong N-H⋯O and weak C-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21580379

Similar Datasets

2-Amino-6-methyl-pyridinium 4-nitro-benzoate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the cations and anions are linked by N-H⋯O hydrogen bonds, forming chains running parallel to the b axis.

| S-EPMC3052051 | biostudies-literature

2-Amino-4-methyl-pyridinium 2-nitro-benzoate.

Project description:In the title mol-ecular salt, C6H9N2 (+)·C7H4NO4 (-), the original pyridine N atom of 2-amino-4-methyl-pyridine is protonated and the carb-oxylic acid group of nitro-benzoic acid is deprotonated. In the crystal, the ions are linked by N-H⋯O hydrogen bonds, forming chains propagating along [001]. The chains are linked via C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to the bc plane.

| S-EPMC3685063 | biostudies-literature

2-Amino-4-methyl-pyridinium 4-nitro-benzoate.

Project description:In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the nitro group of the 4-nitro-benzoate anion is twisted by 7.66?(10)° from the attached ring. In the crystal structure, the 2-amino-4-methyl-pyridinium cations and 4-nitro-benzoate anions are linked via a pair of N-H?O hydrogen bonds to form a ribbon-like structure along the c axis. The ribbons are crosslinked into a three-dimensional framework by C-H?O hydrogen bonds.

| S-EPMC2979821 | biostudies-other

Crystal structure of bis[4-(di-methyl-amino)-pyridinium] bis(2-nitro-benzoate) trihydrate.

Project description:The title salt, 2C7H11N2 (+)·2C7H4NO4 (-)·3H2O, crystallized with two anions and two cations in the asymmetric unit, together with three water mol-ecules. Both 4-di-methyl-amino-pyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH3)2 hetero atoms inclined to the pyridine ring by 4.5 (2) and 1.4 (2)°. In the 2-nitro-benzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1 (3) and 20.0 (3)°, and 75.8 (2) and 20.9 (3)°. In the crystal, the anions are linked via O-H⋯O hydrogen bonds involving the water mol-ecules, forming chains along [100]. The cations are linked to these chains by N-H⋯O hydrogen bonds. The chains are linked via C-H⋯O hydrogen bonds and C-H⋯π and π-π inter-actions [inter-centroid distances range from 3.617 (1) to 3.851 (1) Å], forming a three-dimensional structure.

| S-EPMC4257197 | biostudies-literature

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

Project description:The 4-methyl-benzoate anion of the title salt, C6H9N2(+)·C8H7O2(-), is nearly planar, with a dihedral angle of 6.26?(10)° 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, forming an approximately planar ion pair with a dihedral angle of 9.63?(4)° between the pyridinium and benzene rings. 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.

| S-EPMC3588314 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-amino-benzoate.

Project description:In the 2-amino-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), an intra-molecular N-H?O hydrogen bond is observed. The dihedral angle between the ring and the CO(2) group is 8.41?(13)°. 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 ion pairs are further connected via N-H?O hydrogen bonds, resulting in a donor-donor-acceptor-acceptor (DDAA) array of quadruple hydrogen bonds. The crystal structure also features a weak N-H?O hydrogen bond and a C-H?? inter-action, resulting in a three-dimensional network.

| S-EPMC3515287 | biostudies-literature

2-Amino-4-methyl-pyridinium 4-amino-benzoate.

Project description:In the structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the 4-amino-benzoate anions are linked to adjacent anions and 2-amino-4-methyl-pyridinium cations via N-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure. The crystal structure also shows a weak C-H?O hydrogen bond between adjacent anions. Within the 4-amino-benzoate anion, the carboxyl-ate group is twisted by 14.0?(4)° with respect to the benz-ene ring.

| S-EPMC2961432 | biostudies-literature

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

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the H atom of the N-H group and an H atom of the 2-amino group from the cation are involved in inter-molecular N-H⋯O hydrogen bonds with the O atoms of the carboxyl-ate group of the anion, forming an R(2) (2)(8) ring motif. These ring motifs are, in turn, connected by further N-H⋯O hydrogen bonds, forming a two-dimensional network. The crystal structure is further stabilized by π⋯π stacking inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7594 (8) Å.

| S-EPMC2983539 | biostudies-literature

2-Amino-pyridinium 4-methyl-benzoate dihydrate.

Project description:The crystal structure of the title salt, C(5)H(7)N(2) (+)·C(8)H(7)O(2) (-)·2H(2)O, contains a three-dimensional supra-molecular framework constructed through N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2959774 | 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

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