Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,5',7,7'-Tetra-meth-oxy-2,2'-ethano-1,1'-spiro-biindane.

ABSTRACT: In the title compound, C(23)H(26)O(4), there is a dihedral angle of 83.7?(6)° between the two benzene rings. The five-membered rings have chair conformations.

SUBMITTER: Hu WX

PROVIDER: S-EPMC2960361 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5,5',7,7'-Tetra-meth-oxy-2,2'-ethano-1,1'-spiro-biindane.

Hu Wu-Xin WX Wei Jun-Fa JF Shi Xian-Ying XY

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

In the title compound, C(23)H(26)O(4), there is a dihedral angle of 83.7 (6)° between the two benzene rings. The five-membered rings have chair conformations. ...[more]

PMID: 21201482

Similar Datasets

4,4'-Dibromo-7,7'-dimeth-oxy-1,1'-spiro-biindane.

Project description:In the title compound, C(19)H(18)Br(2)O(2), the dihedral angle between the two benzene rings of the spiro-biindane molecule is 70.44?(8)°. In the crystal, mol-ecules are inter-connected along the c axis by C-H?O hydrogen bonds and ?-? stacking [centroid-centroid distance = 3.893?(2)?Å] inter-actions, forming an infinite chain structure. The chains are further inter-connected through another set of C-H?O hydrogen bonds, forming layers approximately parallel to the bc plane.

| S-EPMC3011698 | biostudies-literature

(R)-2,2'-Bis(meth-oxy-meth-oxy)-1,1'-binaphth-yl.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains two independent mol-ecules in both of which the naphthalene ring systems adopts a transoid arrangement. The dihedral angles between the naphthalene ring system in the two mol-ecules are 83.0?(1) and 89.0?(1)°. There are slight differences in the C(H(3))-O-C(H(2))-O- torsion angles of the eqivalent meth-oxy-meth-oxy groups. In the crystal, weak C-H?O hydrogen bonds are present.

| S-EPMC3344493 | 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

7,7',8,8'-Tetra-meth-oxy-4,4'-dimethyl-3,5'-bichromene-2,2'-dione.

Project description:In the title mol-ecule, C(24)H(22)O(8), the mean planes of the two coumarin units are inclined to each other at a dihedral angle of 79.93?(3)°. The attached meth-oxy groups form torsion angles of 7.65?(19) and 78.36?(14)° with respect to one coumarin unit, and angles of 9.01?(16) and 99.08?(11)° with respect to the other coumarin unit. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect pairs of mol-ecules to form dimers, generating R(2) (2)(16) and R(2) (2)(18) rings; the dimers are linked by further weak inter-molecular C-H?O hydrogen bonds, forming extended chains. Additional stabil-ization is provided by weak C-H?? inter-actions.

| S-EPMC2969715 | biostudies-other

3,3,3',3'-Tetra-methyl-6,6'-bis-[(pyridin-4-yl)meth-oxy]-1,1'-spiro-biindane -monohydrate.

Project description:The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol-ecule and a water mol-ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06?(5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374?(4) and 0.362?(4)?Å. In the crystal, molecules are linked to form inversion dimers via O-H?N hydrogen bonds involving the pyridine N atoms and the solvent water mol-ecule. The dimers are linked into a chain along the b axis by ?-? stacking inter-actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid-centroid distance between the planes is 3.7756?(17)?Å, the perpendicular distance is 3.4478?(11)?Å and the offset is 1.539?Å.

| S-EPMC3379348 | 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

{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

2,2',7,7'-Tetra-bromo-9,9'-spiro-bifluorene toluene hemisolvate.

Project description:There are two independent mol-ecules and one toluene solvent mol-ecule in the asymmetric unit of the title compound, C(25)H(12)Br(4)·0.5C(7)H(8). The dihedral angles between the fluorene ring systems are 85.30?(6) and 84.95?(6)° in the two mol-ecules. The disortions in angles from the ideal sp(3)-hybridization geometry around the tetra-hedral C atoms are due to the strain imposed by the central five-membered ring and steric effects.

| S-EPMC2969217 | biostudies-other

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

5,5'-Bis[(2,2,2-trifluoro-eth-oxy)meth-yl]-2,2'-bipyridine.

Project description:The complete molecule of the title compound, C(16)H(14)F(6)N(2)O(2), is generated by crystallographic inversion symmetry, which results in two short intramolecular C-H⋯N hydrogen-bond contacts per molecule. In the crystal, aromatic π-π stacking [centroid-centroid distance = 3.457 (2) Å] and weak C-H⋯π inter-actions occur. A short H⋯H [2.32 (3) Å] contact is present.

| S-EPMC3051693 | 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