Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Guo A

PROVIDER: S-EPMC2969217 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Guo Ailing A Zhu Ruitao R

Acta crystallographica. Section E, Structure reports online 20090610 Pt 7

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. ...[more]

PMID: 21582818

Similar Datasets

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

Project description: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.

| S-EPMC2960361 | biostudies-literature

rac-7,7',9,9'-Tetra-phenyl-9a,9a'-bi(7,8,9,9a-tetra-hydro-6aH-penta-leno[1,2,3-ij]naphthalen-8-one).

Project description:The racemic title compound, C(54)H(38)O(2), consists of two C-linked penta-leno[1,2,3-ij]naphthalenone moieties, the crowded aryl ring substitution on the cyclo-pentane rings forcing the two segments to assume a conformation which has pseudo-twofold rotational symmetry, with a dihedral angle between the naphthalene substituent groups of 55.30 (8)°. In each segment, the two phenyl rings have different conformational orientations, with inter-ring dihedral angles of 34.7 (2) and 49.63 (16)°. Each cyclo-pentane ring has the same relative configuration in its four chiral centres and together with the fused naphthalene ring assumes an overall chair-like conformation.

| S-EPMC3344468 | 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⋯π inter-actions.

| S-EPMC2969715 | biostudies-literature

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

Project description: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.

| S-EPMC2977652 | biostudies-literature

2,2'-(9,9-Dioctyl-9H-fluorene-2,7-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title compound, C(41)H(64)B(2)O(4), one of the five-membered rings has an envelope conformation, while the other, which may be affected by disorder, is nearly coplanar with the fluorene ring. The dihedral angle between the fluorene and dioxaborolane rings is 2.29 (1)°. Two of the methyl groups are disordered over two orientations in 0.67 (3):0.33 (3) and 0.568 (10):0.432 (10) ratios.

| S-EPMC3239080 | biostudies-literature

[4'-(2-Bromo-5-pyrid-yl)-2,2':6',2''-terpyridine-κN,N',N'']bis(triphenyl-phosphine-κP)-copper(I) tetra-fluorido-borate dichloro-methane hemisolvate.

Project description:In the title complex, [Cu(C(20)H(13)BrN(4))(C(18)H(15)P)(2)]BF(4)·0.5CH(2)Cl(2), the copper(I) cation adopts a distorted tetra-hedral arrangement, coordinated by two triphenyl-phosphine ligands and two N atoms of the potentially tridentate terpyridine ligand. One half-mol-ecule of dichloro-methane crystallizes with the complex. The chlorine atoms are disordered over two sites with occupancies fixed at 0.30 and 0.20 respectively. The N donor atom of the central pyridine inter-acts weakly with the copper centre at a distance of 3.071 Å.

| S-EPMC2915135 | biostudies-literature

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

2,2,3,3'-Tetra-phenyl-7,7'-biquinoxaline.

Project description:In the crystal structure of the title compound, C(40)H(26)N(4), mol-ecules reside on crystallographic centers of inversion and are linked via C-H⋯N inter-actions about inversion centers into one-dimensional chains: longer C-H⋯π(arene) inter-actions complete the inter-molecular inter-actions.

| S-EPMC2915182 | biostudies-literature

2,2'-Bi(9,9-di-ethyl-fluorene).

Project description:The title compound, C34H34, systematic name 9,9,9',9'-tetra-ethyl-2,2'-bi(9H-fluorene), crystallized with two crystallographically independent mol-ecules (A and B) in the asymmetric unit. These differ mainly in the orientation of the lateral ethyl chains: in mol-ecule A, they are both on the same side of the mol-ecule whereas in mol-ecule B, one di-ethyl-fluorene moiety has undergone a 180° rotation such that the two pairs of ethyl residues appear on opposite sides of the mol-ecule. The fluorene ring systems subtend dihedral angles of 31.37 (4) and 43.18 (3)° in mol-ecules A and B, respectively. Hence the two fluorene moieties are tilted slightly toward one another. This may be due to the presence of inter-molecular C-H⋯π inter-actions between neighboring mol-ecules. The lateral ethyl chains (excluding H atoms) are also almost planar, with each pair almost perpendicular to the plane of the fluorene system to which they are attached with dihedral angles between the ethyl and fluorene planes in the range 86.04 (8)-89.5 (1)°.

| S-EPMC3998337 | biostudies-literature

{4,4',6,6'-Tetra-bromo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(19)H(16)Br(4)N(2)O(2))], comprises half of a Schiff base complex. The geometry around the Ni(II) atom, located on a twofold rotation axis, is distorted square-planar, which is supported by the N(2)O(2) donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 23.19 (17)°. In the crystal, a short inter-molecular Br⋯Br [3.6475 (7) Å] inter-action is present.

| S-EPMC3379092 | 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