Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3,5,6-Tetra-fluoro-1,4-bis-({[(5-methyl-thio-phen-2-yl)methyl-idene]amino}-meth-yl)benzene.

ABSTRACT: The title compound, C20H16F4N2S2, is a flexible bis-thio-phene-type Schiff base ligand with a perfluorinated backbone. The terminal thio-phene rings are almost normal to one another with a dihedral angle of 83.8?(2)°, and they are tilted to the central tetra-fluorinated benzene ring with dihedral angles of 61.2?(2) and 77.7?(1)°. In the crystal, there are ?-? inter-actions involving the benzene ring and the thiophene ring of a symmetry-related molecule with a centroid-centroid separation of 3.699?(3)?Å.

SUBMITTER: Luo HK

PROVIDER: S-EPMC4051115 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3,5,6-Tetra-fluoro-1,4-bis-({[(5-methyl-thio-phen-2-yl)methyl-idene]amino}-meth-yl)benzene.

Luo Hai-Kun HK Qin Rui-Rui RR He Ming-Yang MY

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

The title compound, C20H16F4N2S2, is a flexible bis-thio-phene-type Schiff base ligand with a perfluorinated backbone. The terminal thio-phene rings are almost normal to one another with a dihedral angle of 83.8 (2)°, and they are tilted to the central tetra-fluorinated benzene ring with dihedral angles of 61.2 (2) and 77.7 (1)°. In the crystal, there are π-π inter-actions involving the benzene ring and the thiophene ring of a symmetry-related molecule with a centroid-centroid separation of 3.69 ...[more]

PMID: 24940272

Similar Datasets

2,3,5,6-Tetra-fluoro-1,4-bis-({[(thio-phen-2-yl)methyl-idene]amino}-meth-yl)benzene.

Project description:In the title compound, C18H12F4N2S2, a bis-thio-phenyl Schiff base ligand with a perifluorinated aromatic core, the complete molecule is generated by crystallographic inversion symmetry. The thio-phene and tetra-fluorinated benzene rings are oriented at a dihedral angle of 77.38?(4)°. The crystal structure exhibits C-H?F hydrogen bonds, resulting in supra-molecular chains along the c-axis direction.

| S-EPMC4120615 | biostudies-literature

2,3,5,6-Tetra-fluoro-1,4-bis-(2-pyridylmethyl-eneamino-meth-yl)benzene.

Project description:The title compound, C(20)H(14)F(4)N(4), is a flexible bis-pyridine-type ligand with an extended fluorinated spacer group between the two pyridyl functions. The centroid of the central aromatic ring is situated on a crystallographic center of inversion. The dihedral angle between the pyridine ring and the central benzene ring is 63.85?(9)°. The crystal structure exhibits inter-molecular C-H?F hydrogen-bonding inter-actions.

| S-EPMC2968251 | biostudies-literature

2,3,5,6-Tetra-fluoro-1,4-bis-(trimethyl-sil-yl)benzene.

Project description:The asymmetric unit of the title compound, C(12)H(18)F(4)Si(2), contains two independent mol-ecules, both lying on inversion centers. The C(arene)-Si distances are significantly longer than in the analogous non-fluorinated compound. The packing of the mol-ecules results in a herringbone motif in the ac plane.

| S-EPMC3344037 | biostudies-literature

1,4-Bis(fluoro-meth-yl)benzene.

Project description:The title compound, C(8)H(8)F(2), lies across a crystallographic inversion centre. The structure features short C?F [2.8515?(18)?Å] and F?F [2.490?(4)?Å] contacts, which are significantly shorter than the sum of the van der Waals radii of these atoms. The F atom and methyl-ene H atoms are disordered over two positions with a site-occupancy ratio of 0.633?(3):0.367?(3). In the crystal structure, inter-molecular C-H?F inter-actions link neighboring mol-ecules into infinite chains along the b axis. In addition, C-H?? inter-actions link these mol-ecules along [10], forming a two-dimensional network parallel to (101).

| S-EPMC2968459 | biostudies-literature

Dichlorido[2,3,5,6-tetra-fluoro-4-(tri-fluoro-meth-yl)phenyl-?C]bis-(tri-methyl-phosphine-?P)cobalt(III).

Project description:In the title compound, [Co(C(7)F(7))Cl(2)(C(3)H(9)P)(2)], the Co(III) atom displays a trigonal-bipyramidal coordination geometry, with the two Cl ligands and the C atom of the perfluoro-tolyl ligand in the equatorial plane and the two phosphine ligands occupying axial positions. The mol-ecule has an approximate C(2v) symmetry. The trifluoro-methyl group is disordered over two positions, with nearly equal occupancies.

| S-EPMC2979265 | biostudies-literature

Poly[bis-(ethanol)(?4-2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ato)cadmium].

Project description:In the title compound, [Cd(C8F4O4)(C2H5OH)2] n , the Cd(II) cation sits on an inversion centre and is coordinated by six O atoms from four tetra-fluoro-benzene-1,4-di-carboxyl-ate anions and two ethanol mol-ecules in a distorted octa-hedral geometry. The anionic ligand is also located on an inversion centre, and connects four Cd(II) cations, generating a two-dimensional polymeric layer parallel to the ab plane. Within the layer, the ethanol mol-ecule links F and O atoms of the nearest anionic ligands via O-H?O and O-H?F hydrogen bonds. The ethyl group of the ethanol mol-ecule is disordered over two positions with an occupancy ratio of 0.567?(10):0.433?(10).

| S-EPMC3884245 | biostudies-literature

1,3-Bis(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)-2,2-bis-[(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)meth-yl]propane.

Project description:In the crystal structure of the title compound, C29H8F16I4O4, short I⋯I and I⋯F contacts, which can be understood as halogen bonds (XBs), represent the strongest inter-molecular inter-actions, consistent with the presence of I and F atoms, and the absence of H atoms, at the periphery of the mol-ecule. In addition, π-π stacking inter-actions between tetra-fluoro-iodo-phenyl (TFIP) groups and five short F⋯F inter-actions are present.

| S-EPMC3629626 | biostudies-literature

Crystal structure of 2,3,5,6-tetra-kis[(methyl-sulfan-yl)meth-yl]pyrazine.

Project description:The title compound, C12H20N2S4, synthesized by the reaction of 2,3,5,6-tetra-kis-(bromo-meth-yl)pyrazine with sodium methane-thiol-ate, crystallizes with a half -mol-ecule in the asymmetric unit. The whole mol-ecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The mol-ecule has an S-shaped conformation with two (methyl-sulfan-yl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H3)-S-C(H2)-C(aromatic) torsion angles are 70.47 (18) and -67.65 (17)°, respectively. In the crystal, mol-ecules are linked via weak C-H⋯S hydrogen bonds, forming chains along [001] and enclosing R 2 (2)(12) ring motifs. The chains are linked by further weak C-H⋯S hydrogen bonds, forming sheets lying parallel to (101).

| S-EPMC4186201 | biostudies-literature

Synthesis and crystal structure of (E)-2-({2-[aza-niumyl-idene(methyl-sulfan-yl)meth-yl]hydrazinyl-idene}meth-yl)benzene-1,4-diol hydrogen sulfate.

Project description:The title mol-ecular salt, C9H12N3O2S+·HSO4 -, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal com-prises two entities, a thio-semicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intra-molecular O-H⋯N hydrogen bond. In the crystal, a three-dimensional network is established through O-H⋯O and N-H⋯O hydrogen bonds. A weak intermolecular C-H⋯O hydrogen bond is also observed. The hydrogen sulfate anion exhibits disorder over two sets of sites and was modelled with refined occupancies of 0.501 (6) and 0.499 (6).

| S-EPMC6829723 | biostudies-literature

1-Bromo-2,3,5,6-tetra-fluoro-4-nitro-benzene.

Project description:In the title compound, C(6)BrF(4)NO(2), the nitro group is twisted by 41.7 (3)° with reference to the arene ring mean plane. The main inter-actions stabilizing the crystal structure include O⋯Br contacts [3.150 (2) and 3.201 (2) Å], while F⋯F inter-actions are minor [2.863 (3)-2.908 (3) Å].

| S-EPMC3151949 | 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