Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3',5,5'-Tetra-bromo-2,2'-bithio-phene.

ABSTRACT: The title compound, C(8)H(2)Br(4)S(2), was prepared by bromination of 2,2'-bithio-phene with bromine. The mol-ecule is located on a crystallographic twofold rotation axis, thereby imposing equal geometry of the two thio-phene rings. Each five-membered ring is planar [maximum deviation 0.011?(9)?Å] and the dihedral angle between the planes through the rings is 47.2?(4)°. The mol-ecules are arranged to minimize intramolecular contacts between the 3-3' and 5-5'-bromine atoms.

SUBMITTER: Li H

PROVIDER: S-EPMC2977652 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3',5,5'-Tetra-bromo-2,2'-bithio-phene.

Li Hongqi H Li Lin L

Acta crystallographica. Section E, Structure reports online 20090402 Pt 5

The title compound, C(8)H(2)Br(4)S(2), was prepared by bromination of 2,2'-bithio-phene with bromine. The mol-ecule is located on a crystallographic twofold rotation axis, thereby imposing equal geometry of the two thio-phene rings. Each five-membered ring is planar [maximum deviation 0.011 (9) Å] and the dihedral angle between the planes through the rings is 47.2 (4)°. The mol-ecules are arranged to minimize intramolecular contacts between the 3-3' and 5-5'-bromine atoms. ...[more]

PMID: 21583995

Similar Datasets

2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title mol-ecule, C(32)H(52)B(2)O(4)S(2), the two thio-phene rings are twisted by 67.34?(2)°. In the crystal, weak C-H?O hydrogen bonds link mol-ecules related by translation along the a axis into chains.

| S-EPMC3239133 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-biphenyl-3,3',5,5'-tetra-yltetra-methyl-ene tetra-acetate.

Project description:The title compound, C(30)H(38)O(8), possess C(i) symmetry, with the inversion center situated at the center of the bridging C-C bond. In the crystal structure, mol-ecules are held together by C-H?O inter-actions.

| S-EPMC2969695 | biostudies-literature

2,2'-Bithio-phene-3,3'-dicarbonitrile.

Project description:The complete mol-ecule of the title compound, C(10)H(4)N(2)S(2), is generated by an inversion center situated at the mid-point of the bridging C-C bond. The bithio-phene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C-C bond length is 1.450 (2) Å. There are no significant inter-molecular inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions.

| S-EPMC3414987 | biostudies-literature

Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Project description:In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

| S-EPMC2971361 | biostudies-literature

3,3',5,5'-Tetra-nitro-biphen-yl.

Project description:The title compound, C(12)H(6)N(4)O(8), is a biphenyl system that was synthesized as a building block for a new series of anti-malarial compounds. The aromatic rings are oriented at a dihedral angle of 45.5?(2)°, and inter-molecular short O?O contacts form a chain along the b axis. The strength of the inter-actions involved in this chain cause one of the rings to be slightly distorted, with the torsion angle between the nitro groups being 23.4?(2)°, whereas, in the other ring, both nitro systems are parallel, forming an angle of 9.6?(2)° with the plane of the aromatic ring to which they are bound. Furthermore, the three ring C atoms around the ring-ring linkage belong to a plane inclined by 4.5?(1)° in relation to the plane containing the other three C atoms, i.e. (NO(2)-)C-C-C(NO(2)). This distortion of the ring causes uncommonly short intermolecular O?O [3.038?(2)?Å] and O?C [3.000?(4) and 3.214?(1)?Å] contacts.

| S-EPMC2977734 | biostudies-literature

{3,3',5,5'-Tetra-meth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:The title square-planar nickel complex, [Ni(C(20)H(22)N(2)O(6))], has Ni-N and Ni-O bond lengths of 1.8448?(14)/1.8478?(14) and 1.8536?(12)/1.8520?(12)?Å. There is a slight twist in the two benzene rings at each end of the complex [dihedral angle = 11.11?(5)°]. All the atoms of the meth-oxy substitutents are in the plane of the ring to which they are attached except for one which deviates slightly [0.365?(3)?Å]. In the crystal, weak C-H?O inter-molecular inter-actions connect the mol-ecules.

| S-EPMC2979626 | biostudies-literature

Crystal structure of 5,5'-di-bromo-3,3'-di-tert-butyl-6,6'-di-methyl-biphenyl-2,2'-diol.

Project description:The whole mol-ecule of the title compound, C22H28Br2O2, is generated by twofold rotation symmetry. The dihedral angle of the biphenyl moiety is 85.05 (11)°. The hy-droxy groups show intra-molecular O-H⋯π inter-actions without any other hydrogen-bond acceptors. In the crystal, there are no other significant inter-molecular inter-actions present.

| S-EPMC4420096 | biostudies-literature

2,2',5,5'-Tetra-chloro-benzidine.

Project description:In the crystal structure of the title compound, C(12)H(8)Cl(4)N(2), mol-ecules lie on crystallographic twofold axes at the centre of the C-C bonds linking the benzene rings, such that the asymmetric unit consists of a half-mol-ecule. The individual mol-ecules participate in inter-molecular N-H⋯N, N-H⋯Cl, C-H⋯Cl and Cl⋯Cl [3.4503 (3) Å] inter-actions.

| S-EPMC3008068 | biostudies-literature

{3,3',5,5'-Tetra-meth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol-ato}-copper(II).

Project description:In the title square-planar copper complex, [Cu(C(20)H(22)N(2)O(6))], the Cu-N and Cu-O bond lengths are significantly longer than those of its isostructural nickel analog. The title structure is related to that of the corresponding monohydrate. There are significant differences in the conformations of the two complexes. While the monohydrate is mainly planar, in the title compound there is a slight twist in the two benzene rings at each end of the complex [dihedral angle = 13.14?(6)°]. All the atoms of the meth-oxy substitutents are in the plane of the ring to which they are attached (r.m.s. deviation = 0.0079?Å) except for one of the meth-oxy C atoms, which deviates slightly [0.309?(4)?Å]. In the crystal, weak C-H?O inter-molecular inter-actions link the mol-ecules.

| S-EPMC2979637 | biostudies-literature

3,3'-Di-tert-butyl-5,5'-dimethoxy-biphenyl-2,2'-diol.

Project description:The title compound, C(22)H(30)O(4), displays twofold rotational symmetry. The two benzene rings are almost perpendicular to each other, forming a dihedral angle of 89.8?(6)°. In the crystal, mol-ecules are linked into an extended one-dimensional chain structure via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2969421 | 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