Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[{?3-3,3'-[(1,7-dioxa-4,10-di-aza-cyclo-dodecane-4,10-di-yl)bis-(methyl-ene)]dibenzoato}cobalt(II)].

ABSTRACT: The title compound, [Co(C24H28N2O6)] n , crystallizes as infinite chains related to one another by inversion centers, giving a centrosymmetric coordination polymer. The Co(II) ion, situated on a twofold rotation axis, forms a complex with the crown-4 moiety of the 3,3'-[(1,7-dioxa-4,10-di-aza-cyclo-do-decane-4,10-di-yl)bis-(meth-ylene)]dibenzoate anion. The dis-torted octahedral coordination sphere of the Co(II) ion is completed by two carboxyl-ate O atoms from two bridging intra-chain ligands. Metallomacrocyclic rings of 16 atoms are present, with each ring containing two Co(II) ions and 14 atoms from the bridging ligands. These units repeat as infinite zigzag chains along [101].

SUBMITTER: Liao L

PROVIDER: S-EPMC3914058 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[{μ3-3,3'-[(1,7-dioxa-4,10-di-aza-cyclo-dodecane-4,10-di-yl)bis-(methyl-ene)]dibenzoato}cobalt(II)].

Liao Liang L Ingram Conrad W CW Bacsa John J Parker Cass C

Acta crystallographica. Section E, Structure reports online 20131218 Pt 1

The title compound, [Co(C24H28N2O6)] n , crystallizes as infinite chains related to one another by inversion centers, giving a centrosymmetric coordination polymer. The Co(II) ion, situated on a twofold rotation axis, forms a complex with the crown-4 moiety of the 3,3'-[(1,7-dioxa-4,10-di-aza-cyclo-do-decane-4,10-di-yl)bis-(meth-ylene)]dibenzoate anion. The dis-torted octahedral coordination sphere of the Co(II) ion is completed by two carboxyl-ate O atoms from two bridging intra-chain ligands. ...[more]

PMID: 24526951

Similar Datasets

catena-Poly[zinc-μ(3)-{3,3'-[(1,7-dioxa-4,10-diaza-cyclo-dodecane-4,10-di-yl)bis-(methyl-ene)]dibenzoato}].

Project description:The Zn(II) ion in the title compound, [Zn(C(24)H(28)N(2)O(6))](n), is located on a twofold rotation axis and is at the midpoint of a crown-4 moiety of 3,3'-[(1,7-dioxa-4,10-diaza-cyclo-dodecane-4,10-di-yl)bis-(methyl-ene)]dibenzoate anion. It is octahedrally coordinated by two N atoms and two O atoms of the crown moiety from one ligand and two carboxyl-ate O atoms from two bridging intra-chain ligands. Metallomacrocyclic rings are identified in the structure. The metallomacrocycle contains two Zn(II) ions and 14 atoms from the bridging ligands. Repetition of these units gives rise to an infinite zigzag chain along [101]. C-H⋯O hydrogen bonds occur.

| S-EPMC3515149 | biostudies-literature

2,2'-[4,10-Bis(carb-oxy-meth-yl)-4,10-diaza-1,7-diazo-niacyclo-dodecane-1,7-di-yl]diacetate dihydrate.

Project description:In the title compound, C(16)H(28)N(4)O(8)·2H(2)O, the 12-membered macrocycle has twofold crystallographic symmetry and the asymmetric unit comprises one half-mol-ecule. The four carbox-yl/carboxyl-ate groups reside on the same side of the macrocycle. The mol-ecule is a double zwitterion with two of the carb-oxy-lic acid H atoms transferred to the two N atoms on the opposite sides of the macrocycle, resulting in both N atoms having positive charges and leaving the two resulting carboxyl-ate groups with negative charges. The two remaining carb-oxy-lic acid groups and the carboxyl-ate groups form O-H⋯O hydrogen bonds with the crystal water mol-ecules. The H atoms bound to the N atoms within the macrocyle are engaged in two equivalent hydrogen bonds with the adjacent N atoms.

| S-EPMC3052104 | biostudies-literature

4,10-Bis(pyridin-2-ylmeth-yl)-1,7-dithia-4,10-diazo-niacyclo-dodecane bis(perchlorate).

Project description:The asymmetric unit of the title compound C(20)H(30)N(4)S(2) (+). 2ClO(4) (-) comprises one macrocyclic cation and two perchlorate anions. In the cation, one of the protonated H atoms bound to the amide N atom is involved in an intra-molecular N-H?N hydrogen bond. The O atoms in the two perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.65?(3):0.35?(3) and 0.640?(15):0.360?(15).

| S-EPMC3200833 | biostudies-other

catena-Poly[[[(2,2'-bipyridine-κN,N')cobalt(II)]-μ-(E)-3,3'-(but-2-ene-2,3-di-yl)dibenzoato-κO,O':O'',O'''] hemihydrate].

Project description:The title coordination polymer, {[Co(C(18)H(14)O(4))(C(10)H(8)N(2))]·0.5H(2)O}(n), features a helical polymeric chain that runs along the b axis. The Co atoms are chelated by the carboxyl-ate groups of two 3,3'-(but-2-ene-2,3-di-yl)dibenzoate ligands and the N atoms of a 2,2'-bipyridine ligand. The lattice water mol-ecule is disordered about a center of inversion and is connected to the chain by an O-H⋯O hydrogen bond. The Co(II) atom shows a distorted octa-hedral coordination.

| S-EPMC3246969 | biostudies-literature

Crystal structure of bis-{μ<sub>2</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.

Project description:The title compound, [CaCo2(C22H30N4O6)2](ClO4)2·1.36H2O or {Ca[Co(H-2L1)]2}·2ClO4·1.36H2O {where L1 is 4,10-bis-[(3-hy-droxy-4-pyron-2-yl)meth-yl]-1,7-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane}, is a trinuclear complex whose asymmetric unit comprises a quarter of the {Ca[Co(H-2L1)]2}2+ trinuclear complex, half of a perchlorate ion and 0.34-water mol-ecules. In the neutral [Co(H-2L1)] moiety, the cobalt ion is hexa-coordinated in a trigonal-prismatic fashion by the surrounding N4O2 donor set. A Ca2+ cation holds together two neutral [Co(H-2L1)] moieties and is octa-coordinated in a distorted trigonal-dodeca-hedral fashion by the surrounding O atoms belonging to the deprotonated oxide and carbonyl groups of two [Co(H-2L1)] units. The coordination of the CoII cation preorganizes L1 and an electron-rich area forms, which is able to host hard metal ions. The comparison between the present structure and the previously published ones suggests a high versatility of this ligand; indeed, hard metal ions with different nature and dimensions lead to complexes having different stoichiometry (mono- and dinuclear monomers and trinuclear dimers) or even a polymeric structure. The heterotrinuclear CoII-CaII-CoII complexes are connected in three dimensions via weak C-H⋯O hydrogen bonds, which are also responsible for the inter-actions with the perchlorate anions and the lattice water mol-ecules. The perchlorate anion is disordered about a twofold rotation axis and was refined giving the two positions a fixed occupancy factor of 0.5. The crystal studied was refined as a two-component inversion twin [BASF parameter = 0.14 (4)].

| S-EPMC5730261 | biostudies-literature

Poly[[[μ-3,3'-(dimethyl-silanedi-yl)dibenzoato][μ-1,1'-(1,4-phenyl-ene)di-1H-imidazole]-zinc] monohydrate].

Project description:The asymmetric unit of the title compound, {[Zn(C₁₆H₁₆O₄Si)(C₁₂H₁₀N₄)]·H(2)O}(n), consists of one Zn(II) ion, two half 3,3'-(dimethyl-silanedi-yl)dibenzoate ligands and two half 1,1'-(1,4-phenyl-ene)di-1H-imidazole ligands. The Zn(II) ion is four-coordinated by two O atoms from two carboxlate ligands, two N atoms from two imidazole ligands. Two Zn(II) ions are bridged by two carboxyl-ate groups in chelating mode, generating a binuclear secondary building unit (SBU), which is further coordinated by two N atoms from two imidazole ligands in monodentate mode. Thus, the binuclear SBUs are further bridged by imidazole ligands in two different directions, giving rise to a chain. The water solvent mol-ecules are hydrogen bonded within the chain along the c axis.

| S-EPMC3393147 | biostudies-literature

Crystal structure of catena-poly[[di-aqua-cadmium(II)]-μ-3,3'-(1,3-phenyl-ene)diacrylato].

Project description:In the crystal of the title polymeric complex, [Cd(C12H8O4)(H2O)2] n , the Cd(II) cation, located on a twofold rotation axis, is coordinated by two water mol-ecules and chelated by two phenyl-enediacrylate anions (mpda) in a distorted octa-hedral geometry. The mpda anions bridge the Cd(II) cations, forming helical chains propagating along the c-axis direction. The mpba anion has twofold symmetry with two benzene C atoms located on the twofold rotation axis. In the crystal, O-H⋯O hydrogen bonds link the polymeric helical chains into a three-dimensional supra-molecular architecture.

| S-EPMC4438799 | biostudies-literature

8,15-Dioxa-10,13-di-aza-tetra-cyclo-[14.4.0.0(2,7).0(9,14)]icosa-1(16),2,4,6,9(14),10,12,17,19-nona-ene.

Project description:The asymmetric unit of the title compound, C16H10N2O2, contains one half-mol-ecule, the complete mol-ecule being generated by twofold rotation symmetry. The plane of the pyrazine ring forms a dihedral angle of 64.87?(6)° with that of the benzene ring, and the planes of the two benzene rings are inclined to one another by 54.20?(6)°. The O atom deviates from the plane of the benzene ring by 0.1549?(8)?Å. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC3648330 | biostudies-literature

1,7-Diethyl-4,10-diisopropyl-tetra-cene.

Project description:The mol-ecule of the title compound, C(28)H(32), is located on a crystallographic inversion center. The ethyl groups are essentially coplanar with the tetra-cene ring, making a torsion angle of -0.4?(4)°. The isopropyl groups adopt an asymmetric conformation with their terminal methyl groups positioned on opposite sides of the tetra-cene plane [the Me-C-C-C torsion angles are -22.5?(4) and 100.9?(3)°]. In the crystal, the mol-ecules adopt an arrangement without significant ?-? inter-actions along the stacking direction (y axis).

| S-EPMC3201380 | biostudies-literature

2,4-Dioxa-?(6)-thia-tetra-cyclo-[5.3.1.1(5,9).0(1,5)]dodecane-3,3-dione.

Project description:The crystal structure of the title compound, C(9)H(12)O(4)S, was determined in order to investigate the effect of the eclipsed O atoms on the bond length of the vicinal quaternary C atoms. The two quaternary C atoms of the noradamantane skeleton and the two O atoms to which they are connected all located essentially in the same plane (maximum deviation = 0.01?Å), resulting in an eclipsed conformation of the C-O bonds. The C-C bond of the quaternary C atoms is 1.581?(3)?Å, considerably longer than the other C-C bonds of the mol-ecule due to the stretch of the cage structure.

| S-EPMC3379310 | biostudies-other

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