Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis(benzyl-oxyacetato)copper(II).

ABSTRACT: In the title mononuclear complex, [Cu(C(9)H(9)O(3))(2)(H(2)O)(2)], the Cu(II) ion, located on an inversion center, is hexa-coordinated by four O atoms from two benzyl-oxyacetate ligands [Cu-O = 1.9420?(14) and 2.2922?(14)?Å] and two water mol-ecules [Cu-O = 2.0157?(15)?Å] in a distorted octa-hedral geometry. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

SUBMITTER: Sun SL

PROVIDER: S-EPMC2961141 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis(benzyl-oxyacetato)copper(II).

Sun Sheng-Li SL Chen Chun-Liang CL Gu Chang-Sheng CS Song Weng-Dong WD Hao Xiao-Min XM

Acta crystallographica. Section E, Structure reports online 20080423 Pt 5

In the title mononuclear complex, [Cu(C(9)H(9)O(3))(2)(H(2)O)(2)], the Cu(II) ion, located on an inversion center, is hexa-coordinated by four O atoms from two benzyl-oxyacetate ligands [Cu-O = 1.9420 (14) and 2.2922 (14) Å] and two water mol-ecules [Cu-O = 2.0157 (15) Å] in a distorted octa-hedral geometry. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. ...[more]

PMID: 21202226

Similar Datasets

Diaqua-bis[2-(benzyl-oxy)acetato]cobalt(II).

Project description:In the mononuclear title complex, [Co(C(9)H(9)O(3))(2)(H(2)O)(2)], each Co(II) atom is located on an inversion center and is hexa-coordinated by four O atoms from two benzyl-oxyacetate ligands [Co-O bond lengths = 2.0487?(9) and 2.1090?(9)?Å] and two water mol-ecules [Co-O bond length = 2.0873?(9)?Å] in a distorted octa-hedral geometry. In the crystal structure, inter-molecular hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance between phenyl rings = 3.692?(2)?Å] link the mol-ecules into a supra-molecular structure.

| S-EPMC2961700 | biostudies-literature

Diaqua-bis-(perchlorato)(1,10-phenanthroline)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(C(12)H(8)N(2))(H(2)O)(2)], the Cu(II) atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water mol-ecules trans to the N atoms. The coordination sphere of the metal atom is augmented by O atoms of two weakly bonded perchlorate anions, thus yielding a strongly distorted CuN(2)O(4) octa-hedral environment. The crystal packing is stabilized by O-H⋯O hydrogen bonds between the water mol-ecules and the perchlorate anions. In addition, the organic mol-ecules are associated by π-π stacking inter-actions between symmetry-equivalent anti-parallel non-nitro-gen aromatic rings, with inter-planar distances of 3.543 (2) Å.

| S-EPMC3008125 | biostudies-literature

Bis(acetonitrile-?N)diaqua-bis-(perchlorato-?O)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(CH(3)CN)(2)(H(2)O)(2)], the Cu(2+) ion, located on a special position (site symmetry [Formula: see text]), is coordinated by six monodentate ligands, viz. an N-coordin-ated acetonitrile, a perchlorate anion and a water mol-ecule, and their symmetry-related counterparts. The perchlorate anion is disordered over two sets of sites with occupancies of 0.53?(2) and 0.47?(2). The crystal structure is stabilized by O-H?O hydrogen bonds involving the perchlorate ion and aqua H atoms.

| S-EPMC3212188 | biostudies-literature

Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))copper(II).

Project description:In the title complex, [Cu(C(7)H(4)IO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) cation is located on an inversion center and is coordinated by two monodentate 2-iodo-benzoate (IB) anions, two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3435587 | biostudies-literature

Diaqua-(2,2'-bipyridine-?N,N')bis-(perchlorato-?O)copper(II).

Project description:The central CuN(2)O(4) motif of the title compound, [Cu(ClO(4))(2)(C(10)H(8)N(2))(H(2)O)(2)], exhibits a Jahn-Teller-distorted octa-hedral geometry around the metal atom, showing a considerably long Cu-O bond distance of 2.5058?(12)?Å towards the second perchlorate group, giving a (4 + 1+1)-type coordination mode. In the crystal, the components are linked via inter-molecular O-H?O hydrogen bonds, forming layers parallel to (001). Additional stabilization within these layers is provided by ?-? [centroid-centroid distances of 3.7848?(9)-4.4231?(9)?Å] stacking inter-actions.

| S-EPMC3089365 | biostudies-literature

Diaqua-bis-(hydrogen tartrato)copper(II) dihydrate.

Project description:The title complex, [Cu(C(4)H(5)O(6))(2)(H(2)O)(2)]·2H(2)O, contains a Cu(II) ion lying on an inversion centre. The coordination geometry of the Cu(II) ion is a distorted octa-hedron with four O atoms from two hydrogen tartrate ions occupying the equatorial positions and two O atoms from two coordinated water mol-ecules occupying the axial positions. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3006888 | biostudies-other

Diaqua-bis(5-phenyl-1H-pyrazole-3-carboxyl-ato)copper(II).

Project description:In the centrosymmetric title compound, [Cu(C(10)H(7)N(2)O(2))(2)(H(2)O)(2)], the Cu(II) ion occupies an inversion centre and exhibits a distorted octa-hedral geometry. The phenyl and pyrazole rings of the ligand are twisted by an angle of 11.36?(8)°. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to the (010) plane by O-H?O and N-H?O hydrogen bonds.

| S-EPMC2960242 | biostudies-literature

Diaqua-bis-(2-oxo-2H-chromene-3-carboxyl-ato)copper(II).

Project description:In the title compound, [Cu(C(10)H(5)O(4))(2)(H(2)O)(2)], the Cu(II) atom lies on a crystallographic inversion center and exhibits an octa-hedral coordination defined by two O atoms from water mol-ecules in the axial positions and by four O atoms from two deprotonated coumarin-3-carb-oxy-lic acid ligands in the equatorial positions. The angles around the Cu(II) atom vary between 85.32 (6) and 94.68 (6)°. The Cu-O bond distances between the Cu(II) atom and the O atoms vary between 1.9424 (14) and 2.3229 (15) Å. The layers inter-digitate via face-to-face aromatic inter-actions [3.6490 (8) Å] between coumarin moieties such that the inter-layer separation is 10.460 (2) Å, i.e. the length of the c axis. O-H⋯O hydrogen bonds between the H atoms of coordinated water mol-ecules and the O atoms of carboxyl-ate groups link the complex mol-ecules into layers parallel to the ab plane.

| S-EPMC3120618 | biostudies-literature

Diaqua-bis-(N,N'-diethyl-nicotinamide-?N)bis-(4-ethyl-benzoato-?O)copper(II).

Project description:The title Cu(II) complex, [Cu(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB) ligands, two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H?O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 4.6?(3) and 3.7?(2)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82?(11) and 3.63?(14)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H?O inter-actions and a ?-? contact between the pyridine rings [centroid-centroid distance = 3.469?(2)?Å] are also observed.

| S-EPMC3120545 | biostudies-literature

Diaqua-bis(ethyl-enediamine-κN,N')copper(II) bis-(4-phenyl-benzoate) 2.66-hydrate.

Project description:In the title complex, [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(13)H(9)O(2))(2)·2.66H(2)O, the Cu(II) centre (located at an inversion centre) is coordinated by two bidentate ethyl-enediamine (en) ligands and two water O atoms in a typical Jahn-Teller distorted octahedral geometry. The amino groups and the water mol-ecules are disordered over two distinct crystallographic positions with occupancies of 1/3 and 2/3. In the crystal, the cations and anions are disposed in alternating layers. One of the water mol-ecules of crystallization is disordered and the other has a fractional occupation. In the 2/3 occupancy component, water mol-ecules are organized into a chain composed of hexa-meric units inter-connected by carboxyl-ate bridges.

| S-EPMC2979460 | 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