Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Bis[2-(3,4-dibutyl-2-thienylethyn-yl)]biphen-yl.

ABSTRACT: The mol-ecule of the title compound, C(40)H(46)S(2), reveals C(i) symmetry. An inversion centre is located at the mid-point of the C-C bond of the biphenyl unit; the asymmetric unit comprises one-half of the mol-ecule. The conjugated backbone is nearly planar, with a mean deviation of 0.041 Å.

SUBMITTER: Liu L

PROVIDER: S-EPMC2959992 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Bis[2-(3,4-dibutyl-2-thienylethyn-yl)]biphen-yl.

Liu Lei L Liu Na N Xu Wei W Zhu Dao-Ben DB

Acta crystallographica. Section E, Structure reports online 20081113 Pt 12

The mol-ecule of the title compound, C(40)H(46)S(2), reveals C(i) symmetry. An inversion centre is located at the mid-point of the C-C bond of the biphenyl unit; the asymmetric unit comprises one-half of the mol-ecule. The conjugated backbone is nearly planar, with a mean deviation of 0.041 Å. ...[more]

PMID: 21581283

Similar Datasets

4,4'-Bis(benzimidazol-1-yl)biphen-yl.

Project description:The mol-ecule of the title compound, C(26)H(18)N(4), resides on a crystallographic inversion centre with a dihedral angle of 44.94 (5)° between the benzimidazole ring system and the benzene ring. The primary hydrogen bond is C-H⋯N and inversion-related pairs of these generate a chain of rings along the c-axis direction; π⋯π stacking involving the benzimidazole groups with inter-planar separations of ca 3.4 Å complete the inter-actions.

| S-EPMC2915210 | biostudies-literature

4,4'-Bis(2-methoxy-lstyr-yl)biphen-yl.

Project description:The title compound, C(30)H(26)O(2), was prepared by the reaction of a Wittig reagent and 2-methoxy-benzaldehyde. The mol-ecule lies about an inversion centre located at the midpoint of the C-C bond between the inner benzene rings. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC2977130 | biostudies-literature

4,4'-Bis(1,2,4-triazol-1-ylmeth-yl)biphen-yl.

Project description:In the title compound, C(18)H(16)N(6), the complete mol-ecule is generated by crystallographic inversion symmetry. The dihedral angle between the benzene and triazole rings is 84.1 (3)°. The crystal structure is stabilized by weak C-H⋯N hydrogen bonds.

| S-EPMC2970468 | biostudies-literature

4,4'-Bis(2,2-diphenyl-vin-yl)-1,1'-biphen-yl.

Project description:The title mol-ecule, C(40)H(30), lies on an inversion center. The two unique phenyl rings form dihedral angles of 51.98 (8) and 67.58 (8)° with the essentially planar biphenyl unit [maximum deviation = 0.0360 (14) Å].

| S-EPMC3050360 | biostudies-literature

4,4'-Bis(prop-2-yn-yloxy)biphen-yl.

Project description:The title compound, C(18)H(14)O(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mol-ecule lies on an inversion center, located at the mid-point of the central C-C bond. As a result, the benzene rings are coplanar. No classical hydrogen bonds or stacking inter-actions are observed in the crystal structure.

| S-EPMC2915354 | biostudies-literature

4,4'-Bis[2-(3,5-dimeth-oxy-phen-yl)ethen-yl]biphen-yl.

Project description:The title compound, C(32)H(30)O(4), crystallizes with three different conformers of the same mol-ecule in the asymmetric unit, which explains the unusually large unit cell volume. The supra-molecular structure is based on inter-actions involving the meth-oxy groups [C⋯O contacts between 3.090 (2) and 3.204 (2) Å, and C-H⋯O contacts between (normalized) 2.40 and 2.71 Å], π-π stacking of the electron-rich meth-oxy-substituted rings [centroid-centroid distances of 3.6454 (9)-3.738 (1) Å] and C-H⋯π contacts (normalized, 2.62-2.97Å).

| S-EPMC3089291 | biostudies-literature

3,3'-Bis(chloro-meth-yl)-4,4'-dieth-oxy-1,1'-biphen-yl.

Project description:The asymmetric unit of the title compound, C18H20Cl2O2, consists of a half-mol-ecule, the other half being generated by an inversion center, located at the mid-point of the benzene-benzene bond. Except for the two Cl atoms, all other atoms of the compound are nearly coplanar, with the atomic displacements from the mol-ecular mean plane ranging from 0.0037 (19) to 0.071 (2) Å. The two Cl atoms are in trans positions and are displaced with respect to the mean plane by 1.687 (2) and -1.693 (3) Å. The crystal packing is governed by van der Waals inter-actions.

| S-EPMC3998594 | biostudies-literature

catena-Poly[[dichloridocopper(II)]-μ-4,4'-bis-(benzimidazol-1-yl)biphen-yl].

Project description:In the title compound, [CuCl(2)(C(26)H(18)N(4))](n), the Cu(II) ion is four-coordinated by two N atoms from two 4,4'-bis-(benzo-imidazol-1-yl)biphenyl ligands and two chloride anions, in a slightly distorted tetra-hedral environment. The biphenyl ligand acts as a linear bidentate ligand, connecting the metal atoms into an infinite chain parallel to [101]. In the biphenyl ligand, the two benzene rings make a dihedral angle of 33.19 (7)°.

| S-EPMC3089309 | biostudies-literature

catena-Poly[[dichloridocobalt(II)]-μ-4,4'-bis-(benzimidazol-1-yl)biphen-yl].

Project description:In the title compound, [CoCl(2)(C(26)H(18)N(4))](n), the Co(II) atom (site symmetry 2) is tetra-hedrally coordinated by two chloride ions and two N atoms from 4,4'-bis-(benzimidazol-1-yl)biphenyl ligands: the complete ligand is generated by crystallographic twofold symmetry. The dihedral angle between the benzene rings is 34.67 (8)° and the angle between the benene ring and the adjacent benzimidazole ring system is 43.26 (10)°. The bridging ligand links the Co(II) atoms into chains propagating in [[Formula: see text]01].

| S-EPMC3100034 | biostudies-literature

4,4'-Bis[(E)-(2,3-diiodo-prop-2-en-1-yl)-oxy]biphen-yl.

Project description:Iodine adds across both triple bonds of 4,4'-bis-(prop-2-yn--yl-oxy)biphenyl, yielding the 4,4'-bis-(2,3-diiodo-all-yloxy)biphenyl title compound, C(18)H(14)I(4)O(2); the 2,3-diiodo-ally-oxy substituents have the I atoms in an E configuration. In the biphenyl portion of the mol-ecule, the aromatic rings are inclined by 37.8 (2)°.

| S-EPMC3052146 | 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