Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(3-Carb-oxy-phen-yl)pyridinium nitrate.

ABSTRACT: In the title salt, C(12)H(10)NO(2) (+)·NO(3) (-), the dihedral angle between the pyridine ring and the benzene ring of the 4-(3-carb-oxy-phen-yl)pyridinium cation is 30.14?(2)°. Inversion-related pairs of cations are linked into dimers by pairs of O-H?O hydrogen bonds. Pairs of dimers are linked by N-H?O and C-H?O hydrogen bonds involving nitrate anions as acceptors, generating supra-molecular chains along the diagonal of the bc plane.

SUBMITTER: Tang L

PROVIDER: S-EPMC3344461 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(3-Carb-oxy-phen-yl)pyridinium nitrate.

Tang Long L Wu Ya-Pan YP Fu Feng F Zhang Zhu-Lian ZL Guo Hai-Kang HK

Acta crystallographica. Section E, Structure reports online 20120406 Pt 5

In the title salt, C(12)H(10)NO(2) (+)·NO(3) (-), the dihedral angle between the pyridine ring and the benzene ring of the 4-(3-carb-oxy-phen-yl)pyridinium cation is 30.14 (2)°. Inversion-related pairs of cations are linked into dimers by pairs of O-H⋯O hydrogen bonds. Pairs of dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds involving nitrate anions as acceptors, generating supra-molecular chains along the diagonal of the bc plane. ...[more]

PMID: 22590223

Similar Datasets

3-Carb-oxy-pyridinium nitrate.

Project description:In the crystal structure of the title compound, C(6)H(6)NO(2) (+)·NO(3) (-), the protonated cations are linked by N-H⋯O hydrogen bonds into chains along the b axis. The cations and anions are also linked by N-H⋯O and O-H⋯O hydrogen bonds. C-H⋯O inter-actions also occur. In the cation, the ring makes a dihedral angle of 10.1 (3)° with the carboxylate group.

| S-EPMC3394035 | 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

4-(2-Carb-oxy-vin-yl)pyridinium iodide.

Project description:In the crystal structure of the title salt, C(8)H(8)NO(2) (+)·I(-), the cations and anions are linked by bifurcated N-H?(O,I) hydrogen bonds. A near-linear O-H?I hydrogen bond also exists between the cation and anion, resulting in a two-dimensional network. In the cation, the carboxyl group is twisted with respect to the pyridine ring at a dihedral angle of 15.34?(17)°.

| S-EPMC3006743 | biostudies-literature

2-(Eth-oxy-carbon-yl)pyridinium nitrate.

Project description:In the title compound, C(8)H(10)NO(2) (+)·NO(3) (-), the cation is essentially planar with C-O-C-C and C-O-C-O torsion angles of -178.1?(2) and 2.1?(4)°, respectively. In the crystal, N-H?O and C-H?O hydrogen-bond inter-actions stabilize the structure.

| S-EPMC3007460 | biostudies-literature

2',6'-Bis(4-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium nitrate 0.25-hydrate.

Project description:In the title compound, C(24)H(17)N(2)O(4) (+)·NO(3) (-)·0.25H(2)O, the central pyridine ring of the 2',6'-bis-(4-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium cation is almost coplanar with one benzene ring [dihedral angle = 1.03?(5)°], while it makes dihedral angles of 9.59?(5)° with the other benzene ring and 13.66?(6)° with the pyridinium ring. In the crystal, N-H?O and O-H?O hydrogen bonds link the cations and nitrate anions into a sheet in the (302) plane. The crystal structure also exhibits ?-? inter-actions between the central pyridine ring and the benzene rings of neighboring mol-ecules [centroid-centroid distance = 3.6756?(13)?Å].

| S-EPMC3254403 | biostudies-literature

[1-(Carb-oxy-meth-yl)cyclo-hex-yl]methanaminium nitrate.

Project description:The title compound, C(9)H(18)NO(2) (+)·NO(3) (-), is an anhydrous nitrate salt of gabapentin, which is formed serendipitously in the presence of selected non-coordinating metals. The crystal structure involves extensive hydrogen bonding between the -NH(3) (+) and -COOH groups and the nitrate anion.

| S-EPMC3051645 | biostudies-literature

3-Carb-oxy-5-(pyridinium-4-yl)benzoate: a redetermination.

Project description:The title compound, C(13)H(9)NO(4), crystallizes in a zwitterionic form with the pyridine N atom protonated and the carboxyl OH group deprotonated. The benzene and pyridinium rings are inclined with a dihedral angle of 31.42?(14)° between them. A previous report of this stucture claims, we believe incorrectly, that neither of the carboxyl-ate groups is deprotonated [Zhang et al. (2010 ?). Acta Cryst. E66, o2928-o2928]. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen-bonding inter-actions link adjacent mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3120316 | biostudies-literature

4-[3-(Pyridin-4-yl)prop-yl]pyridinium 2-carb-oxy-benzoate.

Project description:In the title molecular salt, C(13)H(15)N(2) (+)·C(8)H(5)O(4) (-), the 2-carb-oxy-benzoate anions are joined into a chain along [010] by strong O-H?O hydrogen bonds, with the H atoms disordered about the inter-vening centres of inversion. The presence of N-H?O hydrogen bonds between cations generates an additional chain along [010] and parallel to that of the anions. The chains are assembled into a three-dimensional framework via weak C-H?O inter-chain inter-actions. In the cation, thee dihedral angle between the pyridine rings is 48.91?(4)°.

| S-EPMC3414185 | biostudies-literature

2-[4-(Carb-oxy-meth-yl)phen-oxy]acetic acid.

Project description:The title compound, C(10)H(10)O(5), was obtained by the reaction of 4-hy-droxy-phenyl-acetic acid with chloro-acetic acid. In the crystal, the mol-ecules form a three-dimensional network by way of inter-molecular O-H?O hydrogen bonding.

| S-EPMC3050335 | biostudies-literature

4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate.

Project description:In the crystal structure of the title compound, C(9)H(7)N(2)O(2)S(+)·C(7)H(5)O(6)S(-)·2H(2)O, an H atom from the 5-sulfosalicylic acid is transferred to the pyridyl N atom, forming a salt. The dihedral angle between the thiazole and pyridinium rings is 5.909 (5)°. The crystal packing is determined by O-H⋯O and N-H⋯O hydrogen bonds involving water mol-ecules.

| S-EPMC2959449 | 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