Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimethyl 2,2'-(p-phenyl-enedi-oxy)-diacetate.

ABSTRACT: The title compound, C(12)H(14)O(6), was prepared by the Williamson reaction of 1,4-dihydroxy-benzene and methyl chloro-acetate with phase-transfer catalysis. The compound lies on an inversion center. The structure is stabilized by weak C-H?? inter-actions.

SUBMITTER: Zhuang LH

PROVIDER: S-EPMC2968197 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dimethyl 2,2'-(p-phenyl-enedi-oxy)-diacetate.

Zhuang Ling-Hua LH Wang Guo-Wei GW

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

The title compound, C(12)H(14)O(6), was prepared by the Williamson reaction of 1,4-dihydroxy-benzene and methyl chloro-acetate with phase-transfer catalysis. The compound lies on an inversion center. The structure is stabilized by weak C-H⋯π inter-actions. ...[more]

PMID: 21581996

Similar Datasets

Diethyl 2,2'-(1,4-phenyl-enedi-oxy)-diacetate.

Project description:In the title compound, C(14)H(18)O(6), a crystallographic center at the centroid of the aromatic ring generates the complete mol-ecule which is planar within 0.085?(1)?Å for the non-H atoms. In the crystal, weak C-H?O and C-H?? inter-actions link the molecules.

| S-EPMC3414340 | biostudies-literature

Dimethyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:The two naphthyl fused-ring systems in the title compound, C(22)H(26)O(6), are aligned at 86.7 (1)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968943 | biostudies-literature

2,2'-(4,6-Dinitro-1,3-phenyl-enedi-oxy)diacetic acid dihydrate.

Project description:In the title compound, C(10)H(8)N(2)O(10)·2H(2)O, the skeleton of the dicarboxylic acid mol-ecule is approximately planar, the largest deviation being 0.477?(1)?Å for an O atom of a nitro group; this nitro group is twisted out of the plane of the ring by 24.6?(1)°. Adjacent mol-ecules are linked by O-H?O hydrogen bonds, which connect the dicarboxylic acid and water mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC2971118 | biostudies-literature

Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

Project description:The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3?(2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0?(1)° with respect to the N-heterocyclic substituent and the other at 48.7?(1)° with respect to its substituent. The two ordered mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7?(1) and 61.7?(1)°, and 29.1?(1) and 58.5?(1)°].

| S-EPMC3052126 | biostudies-literature

Dimethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-di-yl)di-oxy]diacetate: a less densely packed polymorph.

Project description:The title mol-ecule, C(21)H(18)O(8), crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o312-o313]. The main difference between the two polymorphs is in the conformation of the oxomethyl-acetate groups with regard to the almost planar [total puckering amplitude 0.047?(2)?Å] chromene ring. In the title compound, the best planes of the oxomethyl-acetate groups through the non-H atoms are almost perpendicular to the chromene ring [making dihedral angles of 89.61?(6) and 80.59?(5)°], while in the second polymorph the mol-ecules are close to planar. Both crystal structures are stabilized by C-H?O.

| S-EPMC2968320 | biostudies-literature

catena-Poly[[[diaqua-cadmium]-?-2,2'-(1,2-phenyl-enedi-oxy)diacetato] mono-hydrate].

Project description:In the title coordination complex, {[Cd(C(10)H(8)O(6))(H(2)O)(2)]·H(2)O}(n) the Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal geometry, the penta-gonal plane comprising four O-atom donors from the 2,2'-(1,2-phenyl-enedi-oxy)diacetate chelate ligand together with a bridging carboxyl-ate O-atom donor, with the axial sites occupied by two water mol-ecules. The resulting helical chains extend along the b axis and are inter-connected by extensive O-H?O hydrogen-bonding inter-actions, which also involve the water mol-ecule of solvation, giving a three-dimensional structure.

| S-EPMC3052000 | biostudies-literature

Diethyl 2,2'-(biphenyl-2,2'-diyldi-oxy)diacetate.

Project description:In the title compound, C(20)H(22)O(6), the mean planes through the benzene rings make a dihedral angle of 59.82?(7)° with each other. Weak inter-molecular C-H?O inter-actions together with ?-? stacking inter-actions [centroid-centroid distance = 3.830?(1)?Å] between benzene rings are observed in the crystal packing.

| S-EPMC3007496 | biostudies-literature

trans-Ethyl-enedi-p-phenyl-ene diacetate.

Project description:The centrosymmetric title compound, C(18)H(26)O(4), was prepared in high yield from 4-acetoxy-styrene via Ru-catalysed homo-olefin metathesis. Exclusive formation of the E-configurated isomer was observed. In the crystal, a strong C-H?? inter-molecular inter-action links the mol-ecules together.

| S-EPMC2970084 | biostudies-other

{2-[2-(Carb-oxy-meth-oxy)-phen-oxy]acetato}[2,2'-(o-phenyl-enedi-oxy)diacetic acid]sodium 4,4'-bipyridine hemisolvate monohydrate.

Project description:In the title compound, [Na(C(10)H(9)O(6))(C(10)H(10)O(6))]·0.5C(10)H(8)N(2)·H(2)O, the Na atom is eight-coordinated in an distorted dicapped-octa-hedral geometry by eight O atoms from a 2-(2-carb-oxy-meth-oxy-phen-oxy)acetate (o-BDOAH) anion and a 2,2'-(o-phenyl-enedi-oxy)diacetic acid (o-BDOAH(2)) mol-ecule. The uncoordinated 4,4'-bipyridine mol-ecule is arranged around an inversion center and exhibits rotational disorder. A three-dimensional supra-molecular network is built up in the crystal through O-H?O and O-H?N hydrogen bonds between the uncoordinated water mol-ecule, the uncoordinated 4,4'-bipyridine mol-ecule and the sodium complex mol-ecule.

| S-EPMC3007220 | biostudies-literature

3,3'-(m-Phenyl-enedi-oxy)diphthalonitrile.

Project description:In the title compound, C(22)H(10)N(4)O(2), the dihedral angles between the mean planes of the central benzene ring and the pendant rings are 79.20?(6) and 80.29?(6)°. The dihedral angle between the pendant rings is 10.27?(7)°.

| S-EPMC2979240 | 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