Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Di-3-pyridyl-2,2'-dithio-dipyrimidine.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(12)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis that passes through the mid-point of the S-S bond. In the mol-ecule, the C-S-S-C torsion angle is 81.33?(7)°. The crystal packing exhibits no significantly short inter-molecular contacts.

SUBMITTER: Ji JF

PROVIDER: S-EPMC2969656 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Di-3-pyridyl-2,2'-dithio-dipyrimidine.

Ji Jun-Feng JF Li Lei L Zhu Hai-Bin HB

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

The asymmetric unit of the title compound, C(18)H(12)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis that passes through the mid-point of the S-S bond. In the mol-ecule, the C-S-S-C torsion angle is 81.33 (7)°. The crystal packing exhibits no significantly short inter-molecular contacts. ...[more]

PMID: 21583118

Similar Datasets

4,4'-Di-4-pyridyl-2,2'-dithio-dipyrimidine.

Project description:In the title mol-ecule, C(18)H(12)N(6)S(2), the C-S-S-C torsion angle is 96.12?(9)°. The dihedral angles between the pyridyl and pyrimidinyl rings are 16.7?(1) and 1.27?(9)°. In the crystal, inter-molecular ?-? inter-actions between the aromatic rings [centroid-centroid distances = 3.888?(2) and 3.572?(1)?Å] link mol-ecules into chains propagating in [011].

| S-EPMC2969497 | biostudies-other

catena-Poly[[diiodidocadmium(II)]-?-4,4'-di-4-pyridyl-2,2'-disulfanediyldipyrimidine].

Project description:In the title compound, [CdI(2)(C(18)H(12)N(6)S(2))](n), the 4,4'-di-4-pyridyl-2,2'-disulfanediyldipyrimidine (L) ligand bridges two Cd(II) centers, forming polymeric zigzag chains extending along the b axis. The Cd(II) ions are coordinated by two N atoms from two L ligands and two iodide anions in a distorted tetra-hedral geometry.

| S-EPMC2980057 | biostudies-literature

catena-Poly[[di-?-iodido-dicopper(I)(Cu-Cu)]bis-(?-4,4'-di-3-pyridyl-2,2'-disulfanediyldipyrimidine)].

Project description:The title complex, [Cu(2)I(2)(C(18)H(12)N(6)S(2))(2)](n), contains a Cu(2)I(2) core with a Cu-Cu distance of 2.6935?(14)?Å. The Cu(I) atom is coordinated by two bridging 4,4'-di-3-pyridyl-2,2'-disulfanediyldipyrimidine ligands and two bridging I atoms, forming a double chain.

| S-EPMC2980262 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-bipyridine.

Project description:In the title compound, C(18)H(24)N(2), the mol-ecular unit adopts a trans conformation around the central C-C bond [N-C-C-N torsion angle of 179.2?(3)°], with the two aromatic rings almost coplanar [dihedral angle of only 0.70?(4)°]. The crystal packing is driven by co-operative contacts involving weak C-H?N and C-H?? inter-actions, and also the need to fill effectively the available space.

| S-EPMC2977408 | biostudies-literature

Dimethyl 2,2'-di-nitro-biphenyl-4,4'-di-carboxyl-ate.

Project description:The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with ar-yl-ester dihedral angles of 2.1?(2) and 4.2?(3)°. The dihedral angle between the aromatic rings is 58.0?(1)°. The two nitro groups are tilted slightly from the plane of the aromatic rings, making dihedral angles of 14.1?(1) and 8.2?(2)°. In the crystal, mol-ecules are connected by weak C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3998396 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-dipyridinium dichloride.

Project description:In the title compound, C(18)H(26)N(2) (2+)·2Cl(-), the complete dication is generated by crystallographic inversion symmetry; both N atoms are protonated and engaged in strong and highly directional N-H?Cl hydrogen bonds. Additional weak C-H?Cl contacts promote the formation of a tape along ca. [110]. The crystal structure can be described by the parallel packing of these tapes. The crystal studied was a non-merohedral twin with twin law [-1 0 0, 0 -1 0, -0.887 0.179 1] and the final BASF parameter refining to 0.026?(2) .

| S-EPMC3212297 | biostudies-literature

Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

Project description:A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di-tert-butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

| S-EPMC4160121 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:In the title compound, C25H36N2O2, the two tert-butyl-substituted benzene rings are inclined at an angle of 53.5?(3)° to one another. The imidazolidine ring has an envelope conformation with with one of the C atoms of the ethylene fragment as the flap. The structure displays two intra-molecular O-H?N hydrogen bonds that generate S(6) ring motifs. The crystal studied was a non-merohedral twin with a fractional contribution of 0.281(6) for the minor domain.

| S-EPMC3770425 | biostudies-literature

2,2'-(Disulfanedi-yl)dibenzoic acid-N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide (1/1).

Project description:The asymmetric unit of the title co-crystal, C(14)H(14)N(4)S(2)·C(14)H(10)O(4)S(2), comprises a twisted 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule [dihedral angle between the benzene rings = 83.53?(14)°] and a U-shaped mol-ecule of N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide in which intra-molecular N-H?S hydrogen bonds are observed. Two mol-ecules of each form a centrosymmetric ring, with an extended chair conformation, mediated by carbox-yl-pyridine O-H?N hydrogen bonds between the carboxylic acid groups of two 2,2'-(disulfanediyl)dibenzoic acid molecules and pyridine-N atoms of two N,N'-bis(4-pyridylmethyl)ethanedithioamide molecules. The tetra-meric aggregates are linked into a supra-molecular chain along the b axis via amide-carbonyl N-H?O hydrogen bonds.

| S-EPMC2983272 | biostudies-literature

5,5'-Di-4-pyridyl-2,2'-(p-phenyl-ene)di-1,3,4-oxadiazole.

Project description:In the crystal structure of the title compound, C(20)H(12)N(6)O(2), the mol-ecules are located on centres of inversion. The complete mol-ecule is almost planar, with a maximum deviation from the mean plane of 0.0657?(1)?Å for the O atom. In the crystal, mol-ecules are stacked into columns elongated in the a axis direction. The centroid-centroid distances between the aromatic rings of the mol-ecules within the columns are 3.6406?(1) and 3.6287?(2)?Å. Mol-ecules are additionally connected via weak inter-molecular C-H?N hydrogen bonding.

| S-EPMC2971886 | biostudies-other

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