Browse
Submit Data
Databases
API
Help

Dataset Information

86 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-Di-tert-butyl-5,5'-dimethoxy-biphenyl-2,2'-diol.

ABSTRACT: 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.

SUBMITTER: Du ZX

PROVIDER: S-EPMC2969421 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-Di-tert-butyl-5,5'-dimethoxy-biphenyl-2,2'-diol.

Du Zhong-Xiang ZX Wang Ling-Zhi LZ

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

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. ...[more]

PMID: 21582925

Similar Datasets

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

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

1,1'-Di-tert-butyl-2,2',3,3',4,4',5,5'-octa-ethyl-1,1'-bis-tannole.

Project description:The title compound, [Sn(2)(C(4)H(9))(2)(C(12)H(20))(2)], has two 1-stannacyclo-penta-diene skeletons related by inversion symmetry located at the mid-point of the Sn-Sn bond [2.7682 (2) Å]. Thus, the asymmetric unit comprises one half-mol-ecule. The planarity of the stannacyclo-penta-diene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C(4) and C-Sn-C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn-Sn bond. These structural features are similar to those of other bis-tannoles.

| S-EPMC3152095 | biostudies-literature

3,3'-Di-tert-butyl-2'-hydr-oxy-5,5',6,6'-tetra-methyl-biphenyl-2-yl benzene-sulfonate.

Project description:In the title compound, C(30)H(38)O(4)S, the hydroxyl group bonded to one phenyl ring and an O atom of the benzene-sulfonate group attached to the other phenyl ring of the biphenyl backbone of the structure are involved in an intra-molecular O-H?O hydrogen bond. The dihedral angle between the planes of the two aromatic rings of the biphenyl unit is 70.4?(2)°.

| S-EPMC2969514 | biostudies-literature

(Biphenyl-2,2'-di-yl)di-tert-butyl-phos-phonium trifluoro-methane-sulfonate.

Project description:To aid in the elucidation of catalytic reaction mechanism of palladacycles, we found that reaction of trifluoro-methane-sulfonic acid with a phosphapalladacycle resulted in elimination of the palladium and formation of the title phospholium salt, C20H26P(+)·CF3SO3(-). Selected geometrical parameters include P-biphenyl (av.) = 1.801?(3)?Å and P-t-Bu (av.) = 1.858?(3)?Å, and significant distortion of the tetra-hedral P-atom environment with biphen-yl-P-biphenyl = 93.93?(13)° and t-Bu-P-t-Bu = 118.82?(14)°. In the crystal, weak C-H?O inter-actions lead to channels along the c axis that are occupied by CF3SO3(-) anions.

| S-EPMC3588282 | biostudies-literature

Di-tert-butyl 3,3'-(2,2'-bi-1H-imidazole-1,1'-di-yl)dipropanoate.

Project description:In the title compound, C(20)H(20)N(4)O(4), the complete molecule is generated by a crystallographic centre of symmetry. The conformation is stabilized by two intramolecular C-H?N links.

| S-EPMC2969301 | biostudies-literature

Di-tert-butyl 2,2'-(biphenyl-2,2'-diyl-dioxy)diacetate.

Project description:The title compound, C(24)H(30)O(6), does not exhibit ?-? inter-actions due to the steric effect of the bulky tert-butyl groups present in the mol-ecule. The presence of these groups at the 2 and 2' positions hinders the free motion of the benzene rings relative to each other, causing them to adopt an anti-periplanar arrangement. The benzene rings are twisted by just under 50.96?(17)° with respect to each other. The carbonyl groups within the mol-ecule are directed in different directions, one towards the biphenyl group and the other away from it. The mol-ecules are linked together by C=O?H-C hydrogen bonds.

| S-EPMC2962041 | biostudies-other

Di-tert-butyl 2,2'-[(biphenyl-4,4'-diyl)-dioxy]diacetate.

Project description:The complete molecule of the title compound, C(24)H(30)O(6), is generated by a crystallographic inversion centre. In the unique part of the mol-ecule, the four-atom -O-CH(2)-C(= O)-O- chain between the benzene ring and the tert-butyl group assumes a zigzag conformation [O-C-C-O torsion angle = -162.3?(1)°].

| S-EPMC3006834 | biostudies-other

Bis[(1,1'-biphenyl-2,2'-di-yl)di-tert-butyl-phospho-nium] di-?-chlorido-bis-[dichlorido-palladate(II)].

Project description:In the title compound, (C(20)H(26)P)(2)[Pd(2)Cl(6)], the Pd(II) atom within the hexachloridodipalladate(II) dianion has a square-planar geometry. It resides on a centre of inversion with the asymmetric unit containing half of the dianion and one phospho-nium cation. Only weak C-H?? inter-actions are present in the crystal structure.

| S-EPMC3470136 | biostudies-literature

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

Project description: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.

| S-EPMC2979244 | 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