Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(ethyl-enediamine-?(2)N,N')bis-(methanol-?O)copper(II) benzene-1,4-dicarboxyl-ate methanol disolvate.

ABSTRACT: In the cation of the title compound, [Cu(C(2)H(8)N(2))(2)(CH(3)OH)(2)](C(8)H(4)O(4))·2CH(3)OH, the Cu(II) atom lies on an inversion centre. The four N atoms of two ethyl-enediamine ligands around the Cu(II) atom form the equatorial plane, while two methanol O atoms in the axial positions complete a Jahn-Teller distorted octa-hedral coordination. The benzene-1,4-dicarboxyl-ate anion is centrosymmetric. In the crystal, C-H?O, N-H?O and O-H?O hydrogen bonds link the cations, the anions and the methanol solvent mol-ecules.

SUBMITTER: Abbaszadeh A

PROVIDER: S-EPMC3393248 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(ethyl-enediamine-κ(2)N,N')bis-(methanol-κO)copper(II) benzene-1,4-dicarboxyl-ate methanol disolvate.

Abbaszadeh Abolfazl A Safari Nasser N Amani Vahid V Notash Behrouz B

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the cation of the title compound, [Cu(C(2)H(8)N(2))(2)(CH(3)OH)(2)](C(8)H(4)O(4))·2CH(3)OH, the Cu(II) atom lies on an inversion centre. The four N atoms of two ethyl-enediamine ligands around the Cu(II) atom form the equatorial plane, while two methanol O atoms in the axial positions complete a Jahn-Teller distorted octa-hedral coordination. The benzene-1,4-dicarboxyl-ate anion is centrosymmetric. In the crystal, C-H⋯O, N-H⋯O and O-H⋯O hydrogen bonds link the cations, the anions and the meth ...[more]

PMID: 22807708

Similar Datasets

Bis(2-amino-pyridinium) 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate.

Project description:In the title compound, 2C(5)H(7)N(2) (+)·C(10)H(4)O(8) (2-), the 2-amino-pyridinium (2-apyH) cation and 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate (btcH2) anion are both nearly planar, with r.m.s. deviations of 0.015 and 0.050?Å, respectively. The angle between the latter least-squares planes is 17.68?(9)°. The overall crystal structure results from the packing of two-dimensional networks, formed by alternating 2-apyH and btcH2 linked by hydrogen bonds, parallel to (100).

| S-EPMC3344628 | biostudies-literature

Poly[[dodeca-aqua-(?(4)-benzene-1,4-dicarboxyl-ato)(?(2)-4,4'-bipyridine-?(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H?O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A ?-? stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750?(4)?Å] is also observed.

| S-EPMC3344367 | biostudies-literature

[(Pyridine-2,6-dicarboxyl-ato)copper(II)]-?-(pyridine-2,6-dicarboxyl-ato)-[bis-(ethyl-enediamine)-copper(II)]-?-(pyridine-2,6-dicarboxyl-ato)-[(pyridine-2,6-dicarboxyl-ato)copper(II)] ethyl-enediamine monosolvate tetra-hydrate.

Project description:The title compound, [Cu(3)(C(7)H(3)NO(4))(4)(C(2)H(8)N(2))(2)]·C(2)H(8)N(2)·4H(2)O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarb-oxy-lic acid (H(2)dipic) and ethyl-enediamine (en) in an aqueous solution. All of the Cu(II) atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octa-hedral geometry with N(2)O(4) and N(4)O(2) environments for the outer and central Cu(II) atoms, respectively. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [O?centroid distances = 3.669?(2) and 3.668?(2)?Å] are observed in the crystal structure.

| S-EPMC3379149 | biostudies-other

Tris(ethyl-enediamine)-nickel(II) 1H-pyrazole-3,5-dicarboxyl-ate 1.67-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(2)H(8)N(2))(3)](C(5)H(2)N(2)O(4))·1.67H(2)O, consists of three [Ni(en)(3)](2+) dications (en is ethyl-enediamine), three [(pzdc)(3)](2-) dianions (pzdc is pyrazole-3,5-dicarboxyl-ate) and five water mol-ecules. In each complex dication, the Ni(II) atom is coordinated by six N atoms from three en ligands forming a distorted octa-hedral coordination geometry. In the crystal, the ions and water mol-ecules are linked into a three-dimensional framework by a large number of N-H?O and O-H?O hydrogen bonds.

| S-EPMC3007365 | biostudies-literature

Piperazine-1,4-diium pyridine-2,3-dicarboxyl-ate methanol monosolvate.

Project description:The title solvated molecular salt, C(4)H(12)N(2) (2+)·C(7)H(3)NO(4) (2-)·CH(3)OH or (pipzH(2))(py-2,3-dc)·MeOH, was prepared by the reaction of pyridine-2,3-dicarb-oxy-lic acid (py-2,3-dcH(2)) and piperazine (pipz) in methanol (MeOH) as solvent. One of the two carboxylate groups of the acid fragment is nearly perpendicular to the pyridine ring and the other is almost in its plane [C-C-C-O torsion angles = -85.50?(11) and 88.07?(11)° and N-C-C-O torsion angles = -176.31?(8) and 5.41?(13)°]. In the crystal, the components are linked by O-H?O, N-H?O and C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3089228 | biostudies-literature

catena-Poly[[bis-(ethyl-enediamine)copper(II)]-?-sulfato].

Project description:In the title compound, [Cu(SO(4))(C(2)H(8)N(2))(2)](n), the Cu, S and two O atoms lie on a mirror plane. The Cu atom is in a distorted octa-hedral environment and the ethyl-enediamine ligand is in a gauche conformation. The sulfate dianion is bridging, forming a one-dimensional chain. A two-dimensional net parallel to (001) is generated by N-H?O hydrogen bonding between the chains.

| S-EPMC2979599 | biostudies-literature

Bis[dieth-yl(hy-droxy)ammonium] benzene-1,4-dicarboxyl-ate.

Project description:In the centrosymmetric title compound, 2C(4)H(12)NO(+)·C(8)H(4)O(4) (2-), two N,N-dieth-yl(hy-droxy)ammonium cations are linked to a benzene-1,4-dicarboxyl-ate dianion by a combination of O-H?O and N-H?O hydrogen bonds, which can be described in graph-set terminology as R(2) (2)(7). The crystal structure is further stabilized by C-H?O hydrogen bonds, leading to the fomation of a ribbon-like network.

| S-EPMC3007286 | biostudies-other

catena-Poly[[bis-(1H-imidazole-?N)copper(II)]-?-benzene-1,4-dicarboxyl-ato-?O:O].

Project description:In the title compound, [Cu(C(8)H(4)O(4))(C(3)H(4)N(2))(2)](n), the Cu(II) atom is four-coordinated by two carboxyl-ate O atoms from two different terephthalate ligands and two N atoms from two imidazole ligands in a slightly distorted square-planar coordination environment. Each terephthalate ligand acts as a bis-monodentate ligand that binds two Cu(II) atoms, thus forming two unique chains extending parallel to [110]. The imidazole ligands are attached on both sides of the chains.

| S-EPMC3212110 | biostudies-literature

Poly[[diaqua-(?(2)-1,4-dioxane-?O:O')(?(2)-2,3,5,6-tetra-fluoro-benzene-1,4-dicarboxyl-ato-?O:O)copper(II)] 1,4-dioxane disolvate dihydrate].

Project description:In the title complex, {[Cu(C(8)F(4)O(4))(C(4)H(8)O(2))(H(2)O)(2)]·2C(4)H(8)O(2)·2H(2)O}(n), the Cu(II) ion is six-coordinated by two oxygen donors from two trans 2,3,5,6-tetra-fluoro-1,4-dicarboxyl-ate (BDC-F(4)) ligands, two O atoms from two chair 1,4-dioxane ligands and two O atoms from two terminal water mol-ecules, adopting a distorted octa-hedral coordinated geometry. Each BDC-F(4) anion bridges two Cu(II) ions in a bis-monodentate fashion, forming a [Cu(BDC-F(4))](n) chain. These chains are further linked by bridging 1,4-dioxane ligands, generating a two-dimensional net with approximately recta-ngular grids of 11.253 × 7.654?Å. Such adjacent parallel layers are connected by O-H?O hydrogen bonds between guest water mol-ecules and the uncoordinated carboxyl-ate O atoms and coordinated water mol-ecules into the final three-dimensional supra-molecular network.

| S-EPMC3089286 | biostudies-literature

1,4-Bis(benzimidazol-2-yl)benzene dimethyl-formamide disolvate.

Project description:The aromatic mol-ecule of the title compound, C(20)H(14)N(4)·2C(3)H(7)NO, occupies a special position on an inversion center. The benzimidazole unit (planar to within 0.008?Å) forms a dihedral angle of 9.1?(2)° with the central benzene ring. The benzimidazole H atom participates in a hydrogen bond with the dimethyl-formamide solvent molecule, thus giving rise to the title 1:2 aggregate. These aggregates are further linked in the crystal structure by aromatic ?-? stacking inter-actions [centroid-centroid distance = 6.356?(2)?Å].

| S-EPMC2968526 | 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