Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang Y

PROVIDER: S-EPMC3007460 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Yingchun Y

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

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. ...[more]

PMID: 21588335

Similar Datasets

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

Project description: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.

| S-EPMC3344461 | biostudies-literature

3-{3,5-Bis[(2-but-oxy-eth-oxy)carbon-yl]-2,6-dimethyl-1,4-dihydro-pyridin-4-yl}-1-[(3,4,5-trimeth-oxy-benzo-yl)meth-yl]pyridinium bromide.

Project description:In the title salt, C37H51N2O10(+)·Br(-), the 1,4-dihydro-pyridine (1,4-DHP) ring adopts a slighly puckered boat conformation. The N and opposite C atoms deviate from the least-squares plane calculated through the four other ring atoms by 0.068?(5) and 0.224?(5)?Å, respectively. The orientation of both C=O groups is similar (cis with respect to the double bonds of 1,4-DHP. The pyridinium ring has an axial orientation with respect to the1,4-DHP ring and is almost perpendicular to the least-squares plane of the 1,4-DHP ring, making a dihedral angle of 89.2?(3)°. The mol-ecule has a compact shape due to the parallel orientation of the long-chain substituents. One of the but-oxy groups was fond to be disordered (occupancy ratio 0.70:0.30). In the crystal, the bromide anion accepts a weak hydrogen bond from the N-H group of a neighboring 1,4-DHP ring.

| S-EPMC3588226 | biostudies-literature

Crystal structure of (E)-4-{4-[eth-yl(2-hydroxy-eth-yl)amino]-styr-yl}-1-methyl-pyridinium nitrate hemihydrate.

Project description:The asymmetric unit of the title compound, C18H23N2O(+)·NO3 (-)·0.5H2O, contains two independent 4-{4-[eth-yl(2-hy-droxy-eth-yl)amino]-styr-yl}-1-methyl-pyridin-1-ium cations, two nitrate anions and one lattice water mol-ecule. In the cations, the pyridine ring is twisted with respect by 7.98?(12) and 18.42?(10)° to the benzene ring. In the crystal, the cations, the anions and the lattice water mol-ecules are linked by O-H?O hydrogen bonds and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular architecture. ?-? stacking occurs between pyridine and benzene rings of adjacent cations, the centroid-centroid distances being 3.8169?(15) and 3.8663?(14)?Å. In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hy-droxy-lethyl group being disordered over two sets of sites with site occupancy factors of 0.600?(6) and 0.400?(6).

| S-EPMC4384630 | biostudies-literature

4-Eth-oxy-phenyl 4-[(meth-oxy-carbon-yl)-oxy]benzoate.

Project description:In the title compound, C(17)H(16)O(6), the two benzene rings form a dihedral angle of 54.95?(10)°. Only weak inter-molecular inter-actions are present in the crystal structure, viz. C-H?O hydrogen bonds and C-H?? inter-actions involving one of the benzene rings.

| S-EPMC3011779 | biostudies-literature

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

1-(2-Carb-oxy-eth-yl)-5-ethyl-2-methyl-pyridinium chloride.

Project description:In the crystal structure of the title salt, C(11)H(16)NO(2) (+)·Cl(-), the cations and anions are linked by O-H?Cl hydrogen bonds. The structure is further stabilized by weak C-H?Cl hydrogen bonds.

| S-EPMC3470310 | biostudies-literature

4-Acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]sydnone.

Project description:Sydnones, which contain a mesoionic five-membered heterocyclic ring, are more stable if synthesized with an aromatic substutuent at the N3 position. In the title compound {sys-tematic name: 4-acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]-1,2,3-oxa-diazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(eth-oxy-carbon-yl)phenyl. Intra- and inter-molecular hydrogen bonds are observed. The inter-planar angle between the sydnone and benzene rings is 71.94?(8)°. ?-ring?carbon-yl inter-actions of 3.2038?(16)?Å arise between the sydnone ring and a symmetry-related C=O group.

| S-EPMC3884322 | biostudies-literature

4-[3,5-Bis(ethoxy-carbon-yl)-2,6-dimethyl-4-pyrid-yl]pyridinium nitrate.

Project description:In the title mol-ecular salt, C(18)H(21)N(2)O(4) (+)·NO(3) (-), the dihedral angle between the two pyridine rings is 61.24?(8)°. In the crystal, the cation and anion are linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2979292 | biostudies-literature

(E)-4-[2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium naphthalene-2-sulfonate.

Project description:In the title salt, C16H18NO(+)·C10H7O3S(-), the substituents attached to the central C=C bond adopt a trans conformation and the benzene and pyridinium rings are nearly coplanar, making a dihedral angle of 6.01?(9)°. The crystal structure features weak C-H?O hydrogen bonds and C-H?? inter-actions .

| S-EPMC3648254 | biostudies-literature

4-(3-Eth-oxy-4-hydroxy-styr-yl)-1-methyl-pyridinium tosyl-ate monohydrate.

Project description:In the title compound, C(16)H(18)NO(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the pyridyl and benzene rings of the pyridinium cation is 0.2 (1)°. The benzene ring of the tosyl-ate anion makes a dihedral angle of 4.8 (2)° with the best mean plane of the pyridinium cation. The pyridinium cation and the tosyl-ate anion are hydrogen bonded to the water mol-ecule, and the crystal packing is further stabilized by inter-molecular C-H⋯O and π-π inter-actions [centroid-centroid separations of 3.648 (3) and 3.594 (2) Å.

| S-EPMC2967981 | 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