Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl.

ABSTRACT: The title mol-ecule, C(22)H(22)O(4), is centrosymmetric with an inversion centre located at the centre of the benzene ring. The 3,4-dimeth-oxy-benzene fragment is essentially planar [maximum deviation = 0.400?(2)?Å] and twisted relative to the central benzene ring, forming a dihedral angle of 21.25?(7)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a two-dimensional polymeric structure lying parallel to (100).

SUBMITTER: Kung Pui L

PROVIDER: S-EPMC3212286 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl.

Kung Pui Law L Hung Wong Woei WW M Yamin Bohari B Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20110702 Pt 8

The title mol-ecule, C(22)H(22)O(4), is centrosymmetric with an inversion centre located at the centre of the benzene ring. The 3,4-dimeth-oxy-benzene fragment is essentially planar [maximum deviation = 0.400 (2) Å] and twisted relative to the central benzene ring, forming a dihedral angle of 21.25 (7)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional polymeric structure lying parallel to (100). ...[more]

PMID: 22090943

Similar Datasets

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

7,7',8,8'-Tetra-meth-oxy-4,4'-dimethyl-3,3'-bicoumarin.

Project description:In the crystal structure, the title compound, C(24)H(22)O(8), lies on a twofold rotation axis and the asymmetric unit comprises one half-mol-ecule. The dihedral angle formed by the coumarin unit with the symmetry-related part is 74.78?(14)°. One of the meth-oxy groups attached to the coumarin unit is considerably twisted, making an angle of 87.17?(17)° with respect to the coumarin unit; the other is twisted by 0.66?(19)°. No classical hydrogen bonds are found in the sturcture; only a weak C-H?? inter-action and short intra-molecular O?O contacts [2.683?(2)-2.701?(2)?Å] are observed.

| S-EPMC2969639 | biostudies-literature

(1R,1'R,3S,3'S)-5,5',10,10'-Tetra-meth-oxy-1,1',3,3'-tetra-methyl-3,3',4,4'-tetra-hydro-1H,1'H-8,8'-bi[benzo[g]isochromene].

Project description:In the title compound, C(34)H(38)O(6), the methyl groups on each pyran ring exhibit 1,3-cis stereochemistry, established during synthesis by pseudo-axial delivery of hydride during a lactol reduction step. In the crystal structure, the mol-ecule lies on a twofold rotation axis and the torsion angle about the central diaryl bond is 41.3 (1)°. The mol-ecules pack in a herringbone arrangement.

| S-EPMC2961018 | biostudies-literature

3,3''-Bis(9-hy-droxy-fluoren-9-yl)-1,1':3',1''-terphen-yl.

Project description:The asymmetric unit of the title compound, C44H30O2, contains two independent mol-ecules in which the terminal rings of the terphenyl element are inclined at angles of 36.3 (1) and 22.5 (1)° with respect to the central ring and the dihedral angles between the fluorenyl units are 72.3 (1) and 62.8 (1)°. In the crystal, pairs of O-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. The hy-droxy H atoms not involved in these hydrogen bonds form O-H⋯π inter-actions in which the central terphenyl rings act as acceptors. Weak C-H⋯O contacts and π-π [centroid-centroid distance = 4.088 (2) Å] stacking inter-actions also occur. Taking into account directed non-covalent bonding between the molecules, the crystal is constructed of supramolecular strands extending along the a-axis direction.

| S-EPMC3790384 | biostudies-literature

Crystal structure of 4,4'-bis-(4-bromo-phen-yl)-1,1',3,3'-tetra-thia-fulvalene.

Project description:The mol-ecule of the title compound, C18H10Br2S4, has a C-shape, with C s mol-ecular symmetry. The dihedral angle between the planes of the di-thiol and phenyl rings is 8.35 (9)°. In the crystal, mol-ecules form helical chains along [001], the shortest inter-actions being π⋯S contacts within the helices. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis. Density functional theory (DFT) was used to calculate HOMO-LUMO energy levels of the title compound and its trans isomer.

| S-EPMC6690463 | biostudies-literature

1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)ethanone.

Project description:In the title compound, C(21)H(16)F(2)O(2), the central benzene ring is inclined at dihedral angles of 30.91?(8) and 46.88?(7)° to the two terminal fluoro-substituted rings. The dihedral angle between the two terminal fluoro-subsituted rings is 68.34?(8)°. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by weak C-H?? inter-actions.

| S-EPMC3254504 | biostudies-literature

catena-Poly[[dinitratocopper(II)]-?-4,4''-bis-(1H-benzimidazol-1-yl)-1,1':4',1''-terphen-yl].

Project description:In the title one-dimensional coordination polymer, [Cu(NO(3))(2)(C(32)H(22)N(4))](n), the Cu(2+) ion (site symmetry 2) is coordinated by two nitrate O atoms and two N atoms from two 4,4'-bis-(benzoimidazol-1-yl)terphenyl (L) ligands in a distorted cis-CuN(2)O(2) square-planar coordination geometry. An alternative description of the metal coordination geometry, if long Cu-O contacts to the bonded nitrate anions are considered, is an extremely distorted cis-CuN(2)O(4) octa-hedron. The complete L ligand is generated by crystallographic twofold symmetry and connects the metal ions into infinite chains propagating in [10[Formula: see text]]. The dihedral angle between the benzimidazole ring system and the adjacent benzene (B) ring is 51.12?(11)° and the dihedral angle between the B ring and the central ring is 19.45?(13)°.

| S-EPMC3089250 | biostudies-literature

catena-Poly[[dichloridoiron(II)]-μ-4,4''-bis-(benzimidazol-1-yl)-1,1':4',1''-terphen-yl].

Project description:In the title coordination polymer, [FeCl(2)(C(32)H(22)N(4))](n), the Fe(II) atom lies on a crystallographic twofold axis and a distorted FeCl(2)N(2) tetra-hedral coordination geometry arises. The complete ligand is generated by crystallographic twofold symmetry, resulting in an infinite one-dimensional architecture along [101].

| S-EPMC2983580 | biostudies-literature

3,3'-Bis(3-meth-oxy-benz-yl)-1,1'-(ethane-1,2-diyl)-diimidazolium dibromide dihydrate.

Project description:In the title compound, C(24)H(28)N(4)O(2) (2+)·2Br(-)·2H(2)O, the diimid-azo-lium cation is located on an inversion center. The imidazole and the benzene rings make a dihedral angle of 68.08 (04)°. In the crystal, O-H⋯Br, C-H⋯O and C-H⋯Br hydrogen bonds link the diimidazolium cations, the bromide anions and the water mol-ecules into a two-dimensional network.

| S-EPMC3239092 | biostudies-literature

trans-3,3',4,5'-Tetra-meth-oxy-stilbene.

Project description:The title compound, C(18)H(20)O(4), was synthesized by a Wittig-Horner reaction of diethyl 3,4-dimeth-oxy-benzyl-phosphate and 3,5-dimeth-oxy-benzaldehyde. In the crystal, the dihedral angle between the two aromatic rings is 2.47 (12)°. All the meth-oxy groups are almost coplanar with the aromatic ring to which they are attached [C-C-O-C torsion angles = -2.8 (3), -5.2 (4), -176.3 (2) and -178.0 (2)°].

| S-EPMC3212342 | 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