Browse
Submit Data
Databases
API
Help

Dataset Information

0 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[[[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

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

catena-Poly[[aqua-(imidazole)-cadmium(II)]-?(3)-benzene-1,3-dicarboxyl-ato].

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(3)H(4)N(2))(H(2)O)](n), the Cd(II) ion is seven-coordinated by five O atoms from three crystallographically independent benzene-1,3-carboxylate ligands, one N atom from the imidazole ligand and one coordinated water mol-ecule. Neighboring Cd(II) ions are bridged by the benzene-1,3-dicarboxyl-ate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supra-molecular structure through O-H?O and N-H?O hydrogen bonds.

| S-EPMC3006711 | biostudies-literature

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

Project description:In the title compound, {[Cu(C(12)H(6)O(4))(C(3)H(4)N(2))(2)(H(2)O)]·2H(2)O}(n), the Cu(II) cation is coordinated by two naphthalene-1,4-dicarboxyl-ate (naph) dianions, two imidazole mol-ecules and one water mol-ecule in a distorted square-pyramidal geometry. The Cu-O bond distance in the apical direction is 0.509?(3)?Å longer than the mean Cu-O bond distance in the basal plane. The naph dianion bridges two Cu(II) cations, forming a one-dimensional polymeric chain. The coordinated water mol-ecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supra-molecular structure. No ?-? stacking is observed in the crystal structure. One solvent water molecule is disordered equally over two positions.

| S-EPMC2961746 | biostudies-literature

Poly[[aqua-tris-(?-benzene-1,4-dicarboxyl-ato)tricobalt(II)] methanol monosolvate monohydrate].

Project description:The asymmetric unit of the title compound, {[Co(3)(C(8)H(4)O(4))(3)(H(2)O)]·CH(3)OH·H(2)O}(n), consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl-ate (bdc) anions, two water and one methanol solvent mol-ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by one O atom from one coordinated water mol-ecule, while a third Co atom is coordinated by four O atoms from four bdc ligands within a strongly distorted tetra-hedral geometry. The other two Co cations are octa-hedrally coordinated by six O atoms from six bdc anions. The Co cations are linked by the bdc anions into a three-dimensional framework. From this arrangement, cavities are formed in which additional methanol and water mol-ecules are embedded.

| S-EPMC3152069 | biostudies-literature

catena-Poly[[[aqua-tris-(pyridine-?N)nickel(II)]-?-2,3,5,6-tetra-chloro-benzene-1,4-dicarboxyl-ato-?O:O] pyridine monosolvate].

Project description:The asymmetric unit of the title compound, {[Ni(C(8)Cl(4)O(4))(C(5)H(5)N)(3)(H(2)O)]·C(5)H(5)N}(n), contains two independent nickel(II) cations displaying a distorted octa-hedral coordination geometry provided by the N atoms of three pyridine mol-ecules, the O atom of a water mol-ecule, and O atoms of two monodentate ?(2)-bridging tetra-chloro-terephthalate dianions. The metal atoms are linked by the dianions into zigzag chains running parallel to [11]. The crystal packing is stabilized by O-H?N and O-H?O hydrogen bonds.

| S-EPMC3011545 | biostudies-literature

catena-Poly[[bis-(pyridine-?N)zinc(II)]-?-benzene-1,4-dicarboxyl-ato-?O: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

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

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[[[2-(2-pyrid-yl)-1H-benz-imidazole]cadmium(II)]-?-benzene-1,4-dicarboxyl-ato].

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(12)H(9)N(3))](n), each Cd(II) ion is six-coordinated in a distorted octa-hedral geometry by four carboxyl-ate O atoms from two benzene-1,4-dicarboxyl-ate anions (L), and two N atoms from one 2-(2-pyrid-yl)benzimidazole ligand. The neighboring Cd(II) ions are bridged by the L ligands, forming a zigzag polymeric chain structure. The chains are further extended into a three-dimensional supra-molecular structure through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977500 | 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