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

ABSTRACT: 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.

SUBMITTER: Ingram CW

PROVIDER: S-EPMC3515149 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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

Ingram C W CW Liao L L Bacsa J J

Acta crystallographica. Section E, Structure reports online 20121027 Pt 11

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 Z ...[more]

PMID: 23284376

Similar Datasets

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

Project description: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].

| S-EPMC3914058 | 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

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

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

Poly[[?(2)-1,4-bis-(imidazol-1-ylmethyl)-benzene](?(4)-3,5,9,11-tetra-oxo-4,10-diaza-tetra-cyclo-[5.5.2.0(2,6).0(8,12)]tetra-dec-13-ene-4,10-diido)disilver(I)].

Project description:In the title complex, [Ag(2)(C(12)H(8)N(2)O(4))(C(14)H(14)N(4))](n), one Ag(I) ion, lying on a twofold rotation axis, is coordinated by two N atoms from two 3,5,9,11-tetra-oxo-4,10-diaza-tetra-cyclo-[5.5.2.0(2,6).0(8,12)]tetra-dec-13-ene-4,10-diide (L) ligands in a nearly linear arrangement. The other Ag(I) ion, lying on an inversion center, is coordinated by two O atoms from two L ligands and two N atoms from two 1,4-bis-(imidazol-1-ylmeth-yl)benzene ligands in a distorted square-planar geometry. An additional Ag?Ag [3.0119?(3)?Å] inter-action links the Ag(I) ions into a chain along [010]. The two types of ligands have mirror symmetry and connect the Ag(I) ions into a layer parallel to (100).

| S-EPMC3470163 | biostudies-literature

(?-3,5,9,11-Tetra-oxo-4,10-diaza-tetra-cyclo-[5.5.2.0(2,6).0(8,12)]tetra-dec-13-ene-4,10-diido-?(2)N:N')bis-[(2,2'-bipyridine-?(2)N,N')silver(I)] dihydrate.

Project description:In the title complex, [Ag(2)(C(12)H(8)N(2)O(4))(C(10)H(8)N(2))(2)]·2H(2)O, the Ag(I) ion is three-coordinated by two N atoms from a chelating 2,2'-bipyridine ligand and one N atom from an imide ligand in a Y-shaped fashion. The imide ligand and the complex lie on a twofold rotation axis. The ligand bridges two Ag(I) ions, forming a dinuclear complex. In the crystal, O-H?O hydrogen bonds link the lattice water mol-ecules and the complex mol-ecules into a ribbon-like structure along [001]. ?-? inter-actions are observed between the pyridine rings [centroid-centroid distance = 3.8289?(14)?Å].

| S-EPMC3470154 | biostudies-literature

1,12-Bis(2-carboxy-phen-yl)-5,8-dioxa-2,11-diaza-dodecane-2,11-diium dichloride methanol solvate.

Project description:In the title salt hydrate, C(22)H(30)N(2)O(6) (2+)·2Cl(-)·CH(4)O, the dication adopts a U-shaped conformation whereby the benzene rings are splayed out from the chain linking them. All components of the asymmetric unit are linked into a cohesive entity by a combination of O-H?Cl(-), N(+)-H?Cl(-) and N(+)-H?O charge-assisted hydrogen-bonding inter-actions. The assemblies thus formed are linked into supra-molecular helical chains along [010] via C-H?O contacts. The resulting chains are, in turn, consolidated into the three-dimensional crystal structure by C-H?? contacts.

| S-EPMC2980219 | biostudies-literature

catena-Poly[[[aqua-pyridine-zinc(II)]-μ(2)-3,3'-(p-phenyl-ene)diacrylato] pyridine solvate].

Project description:The title compound, {[Zn(C(12)H(8)O(4))(C(5)H(5)N)(H(2)O)]·C(5)H(5)N}(n), has been prepared by hydro-thermal reaction. The Zn(II) atom is six-coordinated by four carboxyl-ate O atoms of two p-phenylenediacrylate (ppda(2-)) ligands, one N atom of a pyridine mol-ecule and one O atom of a water mol-ecule in a distorted octa-hedral environment. The carboxyl-ate groups of the ppda(2-) anions are in a bridging-chelating mode, in which two O atoms chelate one Zn(2+) ion. These connections result in an extended chain structure. Parallel packing of the chains forms a two-dimensional network with inter-molecular edge-to-face inter-actions. Further linkages between the layers through O-H⋯O hydrogen-bonding inter-actions result in a three-dimensional supra-molecular architecture with one-dimensional recta-nglar channels.

| S-EPMC3007971 | 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

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

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