Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N,N,N-Tetra-kis(2,3,4,5,6-penta-fluoro-benzo-yl)pyridine-2,6-diamine.

ABSTRACT: The title compound, C(33)H(3)F(20)N(3)O(4), is a highly fluorinated organic imide that was isolated as an unexpected product from the reaction of 2,6-diamino-pyridine with 2,3,4,5,6-penta-fluoro-benzoyl chloride in a 1:2 molar ratio. The mol-ecule is located on a twofold axis and one of its symmetry-independent 2,3,4,5,6-penta-fluoro-benzoyl groups is disordered over two sets of sites, the occupancy of the major component being 0.773?(3). In the major component, the dihedral angle between the perfluoro-phenyl groups is 63.64?(10)°, and these groups form dihedral angles of 67.14?(7) and 21.1?(2)° with the pyridine core. Short inter-molecular C-H?O and C-H?N contacts are found in the crystal structure.

SUBMITTER: Valkonen A

PROVIDER: S-EPMC3239063 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N,N,N-Tetra-kis(2,3,4,5,6-penta-fluoro-benzo-yl)pyridine-2,6-diamine.

Valkonen Arto A Kolehmainen Erkki E Ośmiałowski Borys B

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

The title compound, C(33)H(3)F(20)N(3)O(4), is a highly fluorinated organic imide that was isolated as an unexpected product from the reaction of 2,6-diamino-pyridine with 2,3,4,5,6-penta-fluoro-benzoyl chloride in a 1:2 molar ratio. The mol-ecule is located on a twofold axis and one of its symmetry-independent 2,3,4,5,6-penta-fluoro-benzoyl groups is disordered over two sets of sites, the occupancy of the major component being 0.773 (3). In the major component, the dihedral angle between the pe ...[more]

PMID: 22199911

Similar Datasets

N-(4-Fluoro-benz-yl)-3-nitro-pyridine-2,6-diamine.

Project description:In the title compound, C(12)H(11)FN(4)O(2), the pyridine ring is connected to a benzene ring by a -CH(2)-NH(2)- chain. The nitro group is twisted out of the pyridine ring plane [torsion angle O-N-C-C = 10.41?(10)°]. An intramolecular N-H?O hydrogen bond occurs. The fluoro-benzene ring is disordered over two positions [occupancy ratio = 0.59?(3):0.41?(3)]. Inter-molecular N-H?O and N-H?N hydrogen bonds stabilize the crystal structure.

| S-EPMC3120364 | biostudies-literature

Tetra-kis(diethyl ether)tetra-?(4)-oxido-octa-kis-(penta-fluoro-phen-yl)octa-zinc.

Project description:Mol-ecules of the title compound, [Zn(8)(C(6)F(5))(8)O(4)(C(4)H(10)O)(4)], are located on a special position of site symmetry [Formula: see text]. As a result, there is just one quarter-mol-ecule in the asymmetric unit. The title compound features a Zn(4)O(4) cube. Each Zn atom in the cube carries a pentafluorophenyl substituent. Each O atom is bonded to a further Zn atom, which is connected to a pentafluorophenyl substituent and the O atom of a diethyl ether mol-ecule. All ether C atoms are disordered over two sets of sites with a site occupation factor of 0.51?(2) for the major occupied site.

| S-EPMC3201485 | biostudies-literature

1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene.

Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(4)F(5))], consists of a ferrocenyl group and a 2,3,4,5,6-penta-fluoro-benzene group linked through an ethyne spacer. The crystal packing is dominated by inter-molecular C-H?F hydrogen bonds, C-F?? inter-actions between the penta-fluoro-benzene groups [F?centroid distances = 3.882?(2) and 3.884?(2)?Å] and ?-? inter-actions between the penta-fluoro-benzene and cyclo-penta-dienyl rings [centroid-centroid distance = 3.741?(1)?Å].

| S-EPMC3007523 | biostudies-literature

Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetra-kis-(penta-fluoro-phen-yl)borate.

Project description:In the title molecular salt, C36H30NP2(+)·C24BF20(-), the P-N bond lengths in the cation are equal [1.573?(2) and 1.572?(2)?Å], indicating a resonance structure and the P-N-P bond angle is 144.79?(12)°. In the crystal, weak C-H?F interactions link the cations and the anions.

| S-EPMC3588361 | biostudies-literature

(E)-3-(2,3,4,5,6-Penta-fluoro-styr-yl)thio-phene.

Project description:The reaction of thio-phene-3-carboxaldehyde and perfluoro-benzyl-triphenyl-phospho-nium bromide in the presence of sodium hydride gave the title compound, C(12)H(5)F(5)S, in 70% yield. The thiophene and perfluorophenyl groups form a dihedral angle of 5.4 (2)°. The structure is characterized by a head-to-tail organization in a columnar arrangement due to π-π inter-actions between the thio-phene and penta-fluoro-phenyl rings with centroid-centroid distances in the range 3.698 (2)-3.802 (2) Å.

| S-EPMC2983909 | biostudies-literature

1,10-Phenanthrolinium 2,3,4,5,6-penta-fluoro-benzoate-2,3,4,5,6-penta-fluoro-benzoic acid (1/2).

Project description:In the title compound, C(12)H(9)N(2) (+)·C(7)F(5)O(2) (-)·2C(7)HF(5)O(2), the cation and anion are linked by an N-H?O hydrogen bond. The neutral mol-ecules bond to the anion via O-H?O hydrogen bonds to form associations of one cation, one anion and two neutral mol-ecules. Inter-molecular C-H?O, C-H?F, F?F [shortest contact = 2.768?(8)?Å], F?? [shortest contact = 3.148?(13)?Å] and ?-? [shortest centroid-centroid separation = 3.689?(5)?Å] inter-actions further link the components to form a three-dimensional network.

| S-EPMC2970377 | biostudies-literature

Tetra-kis(2,6-diamino-pyridinium) diphthalate 2,6-diamino-pyridine.

Project description:In the title compound, 4C(5)H(8)N(3) (+)·2C(8)H(4)O(4) (2-)·C(5)H(7)N(3), the asymmetric unit consists of two protonated diamino-pyridine cations, one phthalate anion and one half of a diamino-pyridine mol-ecule, which has twofold rotation symmetry and is disordered over two positions with a site-occupancy ratio of 0.534?(3):0.466?(3). In the disordered structure, both pyridine rings are essentially planar, with maximum deviations of 0.011?(2) and 0.006?(2)?Å, and these two rings are inclined to one another at a dihedral angle of 79.86?(10)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the ions and mol-ecules into a three-dimensional network. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971263 | biostudies-literature

[5,10,15,20-Tetra-kis-(penta-fluoro-phen-yl)porphyrin-ato]zinc(II) benzene disolvate.

Project description:Single crystals of the title zinc porphyrinato complex, [Zn(C44H8F20N4)]·2C6H6, were obtained by the solvent evaporation method. The molecular complex exhibits point group symmetry with the central ZnII atom located on an inversion centre. The porphyrinato core is approximately planar, and the cation has no other ligating atoms than the four porphyrinato N atoms. π-π inter-actions between benzene solvent mol-ecules and [Zn(TFPP)] units lead to multilayer packing structures. In addition, inter-molecular C-H⋯F hydrogen bonding is observed between [Zn(TFPP)] mol-ecules.

| S-EPMC9462257 | biostudies-literature

Crystal structure of (1E,1'E)-1,1'-(pyridine-2,6-di-yl)bis-[N-(2,3,4,5,6-penta-fluoro-phen-yl)ethan-1-imine].

Project description:The title compound, C21H9F10N3, represents a potential redox non-innocent pyridine di-imine ligand system. It consists of a central pyridine ring with two penta-fluoro-phenyl substituted imine groups in positions 2 and 6. The whole mol-ecule is generated by mirror symmetry, the mirror bis-ecting the N and para-C atom of the pyridine ring. The perfluoro-phenyl ring is inclined to the pyridine ring by 73.67?(8)°. In the crystal, mol-ecules stack along the a axis, but there are no significant inter-molecular inter-actions present.

| S-EPMC5499267 | biostudies-literature

5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41?(6)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3009109 | 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