Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-[Biphenyl-2,2'-diylbis(-oxy)]diacetic acid monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(16)H(14)O(6)·H(2)O, the dihedral angle between the benzene rings is 60.8?(3)°. Mol-ecules are linked through a bifurcated O-H?O hydrogen bond, forming a zigzag chain along the b axis. The chains are further linked by O-H?O hydrogen bonds mediated by water mol-ecules.

SUBMITTER: Rabnawaz M

PROVIDER: S-EPMC2959279 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-[Biphenyl-2,2'-diylbis(-oxy)]diacetic acid monohydrate.

Rabnawaz Muhammad M Ali Qamar Q Shah Muhammad Raza MR Singh Kuldip K

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10

In the crystal structure of the title compound, C(16)H(14)O(6)·H(2)O, the dihedral angle between the benzene rings is 60.8 (3)°. Mol-ecules are linked through a bifurcated O-H⋯O hydrogen bond, forming a zigzag chain along the b axis. The chains are further linked by O-H⋯O hydrogen bonds mediated by water mol-ecules. ...[more]

PMID: 21201118

Similar Datasets

2,2'-(Biphenyl-4,4'-diyldi-oxy)diacetic acid N,N-dimethyl-formamide solvate.

Project description:In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00?(2)°]. The crystal structure is stabilized by O-H?O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].

| S-EPMC2977266 | biostudies-literature

{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'-[Biphenyl-4,4'-diylbis(-oxy)]diphthalic acid.

Project description:In the title mol-ecule, C(28)H(18)O(10), the two central benzene rings form a dihedral angle of 31.0?(1)°. In the phthalic acid fragments, the carb-oxy groups in the meta positions are approximately coplanar with the attached benzene rings, being inclined to their planes at 2.7?(1) and 10.3?(1)°, while the carb-oxy groups in the ortho positions are twisted from the benzene ring planes by 83.5?(1) and 75.4?(1)°. In the crystal, O-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. Weak C-H?O hydrogen bonds and ?-? inter-actions between the aromatic rings [centroid-centroid distance = 3.7674?(3)?Å] further consolidate the crystal packing.

| S-EPMC3254545 | biostudies-literature

2,2'-[4-Acetyl-1,3-phenyl-enebis(-oxy)]diacetic acid.

Project description:In the title compound, C12H12O7, the dihedral angles between the benzene ring and the mean planes of the 3-carb-oxy-meth-oxy, 1-carb-oxy-meth-oxy and acetyl substituents are 8.67?(7), 7.81?(6) and 10.3?(18)°, respectively. In the crystal, mol-ecules are linked by typical carb-oxy-lic acid O-H?O hydrogen bonds, forming a zigzag chain. C-H?O inter-actions also occur.

| S-EPMC3589043 | biostudies-literature

Biphenyl-2,2',4,4'-tetra-carb-oxy-lic acid monohydrate.

Project description:In the title compound, C(16)H(10)O(8)·H(2)O, the dihedral angle between the two benzene rings is 71.63?(5)°. In the crystal structure, pairs of inversion-related mol-ecules are stacked [mean inter-planar spacing = 3.5195?(18)?Å], and O-H?O and C-H?O hydrogen bonds create a three-dimensional network.

| S-EPMC2983381 | biostudies-other

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

{4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(21)H(24)N(2)O(4))]·H(2)O, comprises half of a Schiff base complex and a water mol-ecule. The Cu(II) atom, water mol-ecule and one C atom of the central propyl-ene segment are located on a twofold rotation axis. The geometry around the Cu(II) atom is distorted square-planar, supported by the N(2)O(2) donor atoms of the coordinating ligand. The dihedral angle between the symmetry-related benzene rings is 42.56?(19)°. In the crystal, O-H?O hydrogen bonds involving the water mol-ecule make an R(2) (1)(6) ring motif. Complex mol-ecules are linked into a chain along the c axis via C-H?O inter-actions.

| S-EPMC3470142 | biostudies-literature

{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II) monohydrate.

Project description:In the title complex, [Ni(C(23)H(28)N(2)O(4))]·H(2)O, the Ni(II) ion is coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand in a slightly distorted planar geometry. The asymmetric unit of the title compound comprises one complex mol-ecule and a water mol-ecule of crystallization. The H atoms of the water mol-ecule make bifurcated inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two benzene rings is 31.43 (5)°. The crystal structure is further stabilized by inter-molecular C-H⋯O and C-H⋯π inter-actions, which link neighbouring mol-ecules into one-dimensional extended chains along the a axis. An inter-esting feature of the crystal structure is the short inter-molecular C⋯C [3.3044 (14) Å] contact which is shorter than the sum of the van der Waals radii.

| S-EPMC2968910 | biostudies-literature

{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II) monohydrate.

Project description:In the title complex, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, the Cu(II) ion has a distorted planar geometry, coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand. The asymmetric unit comprises one complex mol-ecule and a water mol-ecule of crystallization. The water H atoms form bifurcated O-H⋯(O,O) inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two O-Cu-N coordination planes is 31.02 (6)° and the dihedral angle between the two benzene rings is 34.98 (7)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H⋯O inter-actions, forming extended chains along the a axis. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π [centroid-centroid = 3.5068 (13) Å] inter-actions.

| S-EPMC2977574 | biostudies-literature

{6,6'-Dieth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}zinc(II) monohydrate.

Project description:The mol-ecule of the title compound, [Zn(C(20)H(22)N(2)O(4))]·H(2)O, deviates from planarity with a dihedral angle between the two benzene rings is 18.3 (1)°. The four-coordinate Zn(II) ion has a distorted square-planar coordination and is N(2)O(2)-chelated by the Schiff base ligand. The Zn(II) ion and solvent water mol-ecule are located on a twofold rotation axis. The structure displays inter-molecular O-H⋯O hydrogen bonding.

| S-EPMC2969102 | 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