Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[aqua-bis-(N-benzyl-adenine-?N)copper(II)]-?-benzene-1,4-dicarboxyl-ato-?O:O].

ABSTRACT: In the title compound, [Cu(C(8)H(4)O(4))(C(12)H(11)N(5))(2)(H(2)O)](n), the Cu(II) ion is five-coordinated by two carboxyl-ate O atoms from two symmetry-related benzene-1,4-dicarboxyl-ate ligands, two N atoms from two symmetry-related N(6)-benzyl-adenine ligands and one water O atom in a square-pyramidal environment. The Cu(II) and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl-ate ligand lies on an inversion center. The water O atom occupies the apical position and the basal plane is occupied by two O atoms and two N atoms. Each benzene-1,4-dicarboxyl-ate anion acts as a bis-monodentate ligand that binds two Cu(II) cations, forming an infinite chain extending parallel to [001]. The N(6)-benzyl-adenine ligands are attached on both sides of the chain. Neighboring chains are further inter-connected into the resulting three-dimensional supra-molecular architecture via O-H?O, N-H?O and N-H?N hydrogen bonds.

SUBMITTER: Li WB

PROVIDER: S-EPMC3200734 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[aqua-bis-(N-benzyl-adenine-κN)copper(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Li Wen-Bo WB

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

In the title compound, [Cu(C(8)H(4)O(4))(C(12)H(11)N(5))(2)(H(2)O)](n), the Cu(II) ion is five-coordinated by two carboxyl-ate O atoms from two symmetry-related benzene-1,4-dicarboxyl-ate ligands, two N atoms from two symmetry-related N(6)-benzyl-adenine ligands and one water O atom in a square-pyramidal environment. The Cu(II) and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl-ate ligand lies on an inversion center. The water O atom occupies the apical position and ...[more]

PMID: 22058863

Similar Datasets

catena-Poly[[bis-(pyridine-κN)zinc(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Project description:In the title coordination polymer, [Zn(C(8)H(4)O(4))(C(5)H(5)N)(2)](n), the Zn(II) atom, located on a twofold rotation axis, is tetra-coordinated by two monodentate O atoms from two different carboxyl-ate groups and two pyridyl N atoms, forming a distorted tetra-hedral geometry. The Zn(II) atoms are bridged by terephthalate ligands, generating an infinite zigzag chain along [101].

| S-EPMC3007002 | biostudies-literature

catena-Poly[[bis-(1H-benzimidazole-κN)palladium(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Project description:In the title compound, [Pd(C(8)H(4)O(4))(C(7)H(6)N(2))(2)](n), the Pd atom is tetra-coordinated by two carboxyl-ate O atoms from two benzene-1,4-dicarboxyl-ate (bdc) dianions and two N atoms from two benzimidazole ligands, resulting in a slightly distorted tetra-hedral PdO(2)N(2) geometry. The bdc ligand acts as a bridge, linking the Pd atoms into a chain. Inter-chain N-H⋯O hydrogen bonds help to stabilize the crystal structure.

| S-EPMC2915081 | biostudies-literature

catena-Poly[[[aqua-(1,10-phenan-throline)cadmium(II)]-?-benzene-1,4-dicarboxyl-ato] benzene-1,4-dicarboxylic acid hemisolvate].

Project description:A new cadmium(II) coordination polymer, {[Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·0.5C(8)H(6)O(4)}(n), has been synthesized under hydro-thermal conditions. The asymmetric unit contains one Cd(II) atom, one benzene-1,4-dicarboxyl-ate anion, one 1,10-phenanthroline ligand, one coordinated water mol-ecule and half of an uncoordinated benzene-1,4-dicaboxylic acid solvent mol-ecule. The Cd(II) atom is in the centre of a monocapped distorted octa-hedron made up of four O atoms of two chelating benzene-1,4-dicarboxyl-ate anions, one water O atom and two 1,10-phenanthroline N atoms. The metal centres are connected via bis-chelating benzene-1,4-dicarboxyl-ate anions into a zigzag chain structure along [001]. These chains are further connected by O-H?O hydrogen bonds between the water mol-ecules and adjacent carboxyl-ate O atoms. Additional O-H?O hydrogen bonding between the uncoordinated benzene-1,4-dicaboxylic acid mol-ecules along [010] consolidates the structure.

| S-EPMC2968137 | biostudies-literature

Aqua-(benzene-1,2-dicarboxyl-ato-κO)bis-[2-(1H-pyrazol-3-yl-κN)pyridine-κN]cadmium(II).

Project description:In the mononuclear title complex, [Cd(C(8)H(4)O(4))(C(8)H(7)N(3))(2)(H(2)O)], the Cd(II) atom is six-coordinated in a distorted octa-hedral geometry by four N atoms from two bidentate chelating 2-(1H-pyrazol-3-yl)pyridine ligands, one O atom from a benzene-1,2-dicarboxyl-ate ligand and one water mol-ecule. The mol-ecular structure features intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. In the crystal structure, the complex mol-ecules are assembled into a two-dimensional supra-molecular layer parallel to (011) via O-H⋯O and N-H⋯O hydrogen bonds and π-π stacking inter-actions between the pyridyl and pyrazole rings [centroid-centroid distances = 3.544 (2) and 3.722 (3) Å].

| S-EPMC2983402 | biostudies-literature

catena-Poly[[aqua-(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-di-carboxyl-ato].

Project description:The title compound, [Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)](n), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.

| S-EPMC2967922 | biostudies-literature

catena-Poly[[[aqua-(pyridine-2,6-dicarboxyl-ato N-oxide-κO,O)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'] dihydrate].

Project description:In the title compound, {[Co(C(7)H(3)NO(5))(C(13)H(14)N(2))(H(2)O)]·2H(2)O}(n), the Co(II) atom is coordinated by two O atoms from a pyridine-2,6-dicarboxyl-ate N-oxide ligand, two N atoms from two 1,3-di-4-pyridylpropane ligands and one water mol-ecule, and displays a distorted square-pyramidal coordination geometry. The 1,3-di-4-pyridylpropane ligands link the Co(II) atoms into an infinite zigzag chain parallel to [010]. The chains are further linked through O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2959606 | biostudies-literature

Poly[aqua[μ(2)-1,2-bis-(imidazol-1-yl-methyl)benzene-κN:N](μ(2)-5-bromo-benzene-1,3-dicarboxyl-ato-κO,O:O)nickel(II)].

Project description:In the two-dimensional title coordination polymer, [Ni(C(8)H(3)BrO(4))(C(14)H(14)N(4))(H(2)O)](n), the Ni(II) atom adopts a distorted octa-hedral geometry, being ligated by three O atoms from two different 5-bromo-benzene-1,3-dicarboxyl-ate ligands, two N atoms from two 1,2-bis-(imidazol-1-ylmeth-yl)benzene ligands and one coordinated water mol-ecule. The Ni atoms are bridged by the 5-bromo-benzene-1,3-dicarboxyl-ate ligands, forming chains, which are further linked by 1,2-bis-(imidazol-1-ylmeth-yl)benzene, generating a layer structure parallel to (001).

| S-EPMC2969767 | biostudies-literature

catena-Poly[[cobalt(II)-μ-aqua-μ-propano-ato-κO:O'-μ-propano-ato-κO:O] monohydrate].

Project description:The title compound, {[Co(C(2)H(5)COO)(2)(H(2)O)]·H(2)O}(n), was synthesized by the reaction of cobalt(II) carbonate hydrate with aqueous propionic acid. The structure consists of polymeric infinite linear chains with composition [Co(C(2)H(5)COO)(4/2)(H(2)O)(2/2)](∞) running along [010]. The chains are formed by Co(2+) ions linked with bridging propionate groups and water mol-ecules, with a Co⋯Co distance along the chains of 3.2587 (9) Å. The Co(2+) ion is six-coordinated in a strongly distorted octa-hedral geometry. The chains are connected to each other by a network of O-H⋯O hydrogen bonds involving solvent water mol-ecules.

| S-EPMC3009297 | biostudies-literature

catena-Poly[4,4'-bipyridinium [[tetra-aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)cerate(III)]-μ-pyridine-2,6-dicarboxyl-ato-κO:O,N,O-[(pyridine-2,6-dicarboxyl-ato-κO,N,O)cerate(III)]-μ-pyridine-2,6-dicarboxyl-ato-κO,N,O:O] penta-hydrate].

Project description:The title compound, {(C(10)H(10)N(2))[Ce(2)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·5H(2)O}(n), is composed of a one-dimensional anionic complex, a doubly protonated 4,4'-bipyridine mol-ecule as a counter-ion and five uncoordinated water mol-ecules. The anion bears two nine-coordinate Ce(III) ions, each with a distorted tricapped trigonal-prismatic geometry. In the crystal, inter-molecular C-H⋯O, N-H⋯O and O-H⋯O hydrogen bonds, as well as π-π inter-actions with centroid-centroid distances of 3.514 (3) Å connect the various components into a supra-molecular structure.

| S-EPMC3051934 | biostudies-literature

catena-Poly[[diaqua-(2,2'-bipyridine-κN,N')nickel(II)]-μ-biphenyl-2,2'-dicarboxyl-ato-κO:O'].

Project description:In the title compound, [Ni(C(14)H(8)O(4))(C(10)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is coordinated in a slightly distorted octa-hedral geometry by two water mol-ecules, two N atoms from a 2,2'-bipyridine ligand and two O atoms from the carboxyl-ate groups of two 2,2'-biphenyl-dicarboxyl-ate (2,2'-dpa) ligands. The 2,2'-dpa ligand acts as a bridge between neighbouring Ni(II) atoms, forming one-dimensional coordination polymers along [100]. The coordinated water mol-ecules form hydrogen bonds to the carboxyl-ate O atoms of 2,2'-dpa within the same coordination polymer, and one O-H⋯π inter-action is also formed to 2,2'-dpa.

| S-EPMC2959859 | 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