Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-Dibromo-6,6'-dimethoxy-biphenyl-2,2'-dicarboxylic acid ethanol monosolvate.

ABSTRACT: In the title compound, C(16)H(12)Br(2)O(6)·C(2)H(5)OH, the two benzene rings are twisted by 80.64?(5)° and the carboxyl groups form dihedral angles of 72.48?(3) and 89.41?(2)° with the corresponding benzene rings. In the crystal structure, the biphenyl mol-ecules are connected by inter-molecular O-H?O and O-H?Br hydrogen bonds, resulting in a chain along the b axis.

SUBMITTER: Zhang X

PROVIDER: S-EPMC2979244 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-Dibromo-6,6'-dimethoxy-biphenyl-2,2'-dicarboxylic acid ethanol monosolvate.

Zhang Xiao X Li Long L Zhou Le L Ji Baoming B

Acta crystallographica. Section E, Structure reports online 20100424 Pt 5

In the title compound, C(16)H(12)Br(2)O(6)·C(2)H(5)OH, the two benzene rings are twisted by 80.64 (5)° and the carboxyl groups form dihedral angles of 72.48 (3) and 89.41 (2)° with the corresponding benzene rings. In the crystal structure, the biphenyl mol-ecules are connected by inter-molecular O-H⋯O and O-H⋯Br hydrogen bonds, resulting in a chain along the b axis. ...[more]

PMID: 21579192

Similar Datasets

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

3,3'-Dibromo-5,5'-di-tert-butyl-2,2'-dimethoxy-biphen-yl.

Project description:The title compound, C(22)H(28)Br(2)O(2), crystallizes in a staggered arrangement to minimize the inter-actions of its ortho substituents, with a dihedral angle of 84.2?(3)° between the two aromatic rings. Short C-H?O hydrogen-bonding inter-actions between meth-oxy groups result in a one-dimensional polymeric chain of mol-ecules lying parallel to the b axis. One tert-butyl group is disordered equally over two positions.

| S-EPMC2960332 | 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

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'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-deca-methyl-1,1':3',1''-terphenyl chloro-form monosolvate.

Project description:The title compound, C(28)H(33)I·CHCl(3), forms dimers through C-I?? inter-actions. The crystal structure is consolidated by the presence of C-H?? inter-actions between the chloro-form solvent and the main mol-ecule.

| S-EPMC3050376 | biostudies-literature

6,6'-Dibromo-2,2'-dihex-yloxy-1,1'-bi-naphthalene.

Project description:The title compound, C(32)H(36)Br(2)O(2), was prepared by the reaction of 6-bromo-1-(2-bromo-6-hydroxy-naphthalen-5-yl)-naphthalen-2-ol and 1-iodo-hexane. The dihedral angle between the naphthalene ring planes is 63.8?(9)° The crystal structure may be stabilized by two very weak ?-? inter-actions involving the six-membered rings, with centroid-centroid distances of 4.012?(4) and 4.010?(4)?Å. The crystal studied was an inversion twin.

| S-EPMC2959541 | biostudies-literature

Dimethyl 6,6'-dicyano-2,2'-bipyridine-3,3'-dicarboxyl-ate.

Project description:In the title compound, C(16)H(10)N(4)O(4), the two pyridine rings are twisted by 44.41?(2)° and the ester groups form dihedral angles of 48.77?(4) and 45.75?(2)° with the corresponding pyridine rings. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds and ?-? stacking inter-actions between the pyridine rings [centroid-to-centroid distance 3.797?(2)?Å].

| S-EPMC2977680 | biostudies-literature

2,2'-Bipyridine-5,5'-dicarboxylic acid.

Project description:The title mol-ecule, C(12)H(8)N(2)O(4), lies on an inversion center. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds connect mol-ecules into one-dimensional chains along [11].

| S-EPMC2969984 | biostudies-literature

1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate.

Project description:In the title compound, C(29)H(22)Br(2)O(3), the dihedral angles between the mean planes of the benzene rings within each biphenyl group are 26.7?(8) and 30.9?(8)°. The mean planes of the terminal and inner benzene rings of the biphenyl groups bonded through a propan-1-one group in the V-shaped mol-ecule are oriented at angles of 66.1?(7) and 60.0?(8)°, respectively. The two Br atoms are opposite the propen-1-one group. Weak inter-molecular C-H?O and C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3275044 | biostudies-literature

Effect of Heterocyclic Ring on LnIII Coordination, Luminescence and Extraction of Diamides of 2,2'-Bipyridyl-6,6'-Dicarboxylic Acid.

Project description:We have synthesized and examined several complexes of lanthanides with diamides of 2,2'-bipyridyl-6,6'-dicarboxylic acid bearing various hetaryl-based side chains for the elucidation of the effect of the heterocycle on the structure and properties of the ligands. The multigram scale methods for the preparation of various N-alkyl-hetaryls and their diamides were developed. The solid state structure of 6-methyl-2-pyridylamide of 2,2'-bipyridyl-6,6'-dicarboxylic acid possesses a flat structure where the conformation is completely different from that previously observed for N-alkylated 2,2'-bipyridyl-6,6'-dicarboxamides and 2,6-pyridinedicarboxamides. The complexes of new ligands were synthesized and NMR and X-Ray studied their structure in solution and solid state. The results demonstrate that complexes possess the same structures both in solid state and in solution. Stability constants of the complexes were less when comparing with dimethyl-substituted diamides, but higher than for unsubstituted dianilide. Contrarily, the extraction ability of 2-pyridyl-diamide is significantly lower than for corresponding anilide. Specific interaction of extractant with solvent molecules, which is not available for electron-sink pyridine amides, can explain this. The luminescence of new Eu complexes was significantly higher than for all previously 2,2'-bipyridyl-6,6'-dicarboxamides and QY reaches 18%. Asymmetry ratios of Eu complexes were 25% higher when compared other complexes with 2,2'-bipyridyl-6,6'-dicarboxamides, which indicates large deviation from the inversion center.

| S-EPMC6983261 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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