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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

catena-Poly[[[aqua-(1,10-phenanthro-line)zinc(II)]-?-3,3'-(p-phenyl-ene)di-acrylato] hemihydrate].

Project description:In the title compound, {[Zn(C(12)H(8)O(4))(C(12)H(8)N(2))(H(2)O)]·0.5H(2)O}(n), each Zn(II) atom is six-coordinated by two N atoms from one 1,10-phenanthroline (phen), three carboxyl-ate O atoms from two different L ligands [H(2)L = 3,3'-(p-phenyl-ene)diacrylic acid] and one water mol-ecule in a distorted octa-hedral environment. The two L dianions are situated across inversion centres and bridge neighbouring Zn(II) centres, yielding a chain propagating parallel to [100]. O-H?O hydrogen bonds between the coordinated water molecule, the solvent water molecule (half-occupied) and the carboxylate O atoms further stabilize the structure.

| S-EPMC2977088 | biostudies-other

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

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

Bis(dimethyl-ammonium) 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dihydrate.

Project description:The title compound, 2C(2)H(8)N(+)·C(30)H(12)N(2)O(12) (2-)·2H(2)O, comprises dimethyl-ammonium cations, 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dianions and water mol-ecules. The dianion is situated on a crystallographic inversion centre. Two very strong symmetry-restricted O⋯H⋯O hydrogen bonds are present which are situated about the crystallographic inversion centres. In one of these hydrogen bonds, the H atom is situated at its centre, while in the other one the H atom is disordered about its centre. Both H atoms are involved in the chain-like C(2) (2)(16) motif, and not in a more common motif R(2) (2)(8) that is composed of a pair of hydrogen carboxyl-ates with the H atoms situated about the centre between the pair of O atoms. In the crystal, inter-action of these hydrogen bonds results in formation of anionic layers of dianions parallel to (-111). The water mol-ecules donate their H atoms to one of two of the carboxyl-ate O atoms, forming strong hydrogen bonds. The dimethyl-ammonium donates a bifurcated hydrogen bond to an oxo group of the dianion, forming weak hydrogen bonds. All the hydrogen bonds form a three-dimensional hydrogen-bonded network.

| S-EPMC3393979 | 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

14-Eth-oxy-4,6,9-trimethyl-8,12-dioxa-4,6-diaza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

Project description:In the title compound, C(19)H(20)N(2)O(6), the pyrone and pyran rings adopt envelope conformations with the same common C atom as the flap, the dihedral angle between the planes of the remaining ring atoms being 68.27 (4)°. The planar atoms of the pyran ring and the diaza-cyclic ring are almost coplanar, the dihedral angle between their mean planes being 3.29 (7)°. Moreover, the planar atoms of the pyrone ring and benzene ring of the coumarin unit are also close to coplanar, the dihedral angle between their mean planes being 8.03 (9)°. The meth-oxy group lies in the plane of the benzene ring, with a dihedral angle between their mean planes of 9.4 (2)°. In the crystal, the molecules are linked by C-H⋯O hydrogen bonds resulting in sheets of mol-ecules in the ac plane.

| S-EPMC3569800 | biostudies-literature

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