Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[aqua-[?-1,4-bis-(3-pyridylmeth-yl)piperazine-?N:N'](?-isophthalato-?O:O)copper(II)].

ABSTRACT: In the title compound, [Cu(C(8)H(4)O(4))(C(16)H(20)N(4))(H(2)O)](n), square-pyramidally coordinated Cu(II) ions are linked into [Cu(H(2)O)(isophthalate)](n) coordination polymer chains by isophthalate dianions. These chains are connected into undulating [Cu(H(2)O)(isophthalate)(3-bpmp)](n) [3-bmp is bis-(3-pyridylmeth-yl)piperazine] layers by 3-bpmp tethering ligands. The pseudo three-dimensional structure of the title compound is fostered by inter-layer O-H?O hydrogen bonding between the aqua ligands and unligated isophthalate O atoms. The selected crystal was non-merohedrally twinned. Only reflections from the major twin component were used in the solution and refinement.

SUBMITTER: Gandolfo CM

PROVIDER: S-EPMC2983567 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[aqua-[μ-1,4-bis-(3-pyridylmeth-yl)piperazine-κN:N'](μ-isophthalato-κO:O)copper(II)].

Gandolfo Chaun M CM Laduca Robert L RL

Acta crystallographica. Section E, Structure reports online 20100220 Pt 3

In the title compound, [Cu(C(8)H(4)O(4))(C(16)H(20)N(4))(H(2)O)](n), square-pyramidally coordinated Cu(II) ions are linked into [Cu(H(2)O)(isophthalate)](n) coordination polymer chains by isophthalate dianions. These chains are connected into undulating [Cu(H(2)O)(isophthalate)(3-bpmp)](n) [3-bmp is bis-(3-pyridylmeth-yl)piperazine] layers by 3-bpmp tethering ligands. The pseudo three-dimensional structure of the title compound is fostered by inter-layer O-H⋯O hydrogen bonding between the aqua l ...[more]

PMID: 21580257

Similar Datasets

catena-Poly[[dichloridozinc(II)]-?-1,4-bis-(3-pyridylmeth-yl)piperazine].

Project description:In the title compound, [ZnCl(2)(C(16)H(20)N(4))](n), tetra-hedrally coordinated divalent Zn atoms are ligated by two Cl atoms and two N-donor atoms from two 1,4-bis-(3-pyridylmeth-yl)-piperazine (3-bpmp) ligands. The tethering 3-bpmp ligands promote the formation of [ZnCl(2)(3-bpmp)](n) chains situated parallel to (02). These chains aggregate via C-H?Cl inter-actions to form supra-molecular layers, which in turn stack to construct the three-dimensional crystal structure.

| S-EPMC2977589 | biostudies-literature

Poly[1,4-bis-(4-pyridylmeth-yl)piperazine-diium [[tetra-aqua-cobaltate(II)]-?-pyromellitato-?O:O] dihydrate].

Project description:In the title compound, {(C(16)H(22)N(4))[Co(C(10)H(2)O(8))(H(2)O)(4)]·2H(2)O}(n), the octa-hedrally coordinated Co(II) atom is situated on an inversion center and possesses four aqua ligands. The Co atoms are linked into an anionic coordination polymer chain by bis-monodentate pyromellitate ligands. The chain motifs are connected into a supra-molecular layer by hydrogen bonding mediated by uncoordinated water mol-ecules. Charge balance is provided by doubly protonated bis-(4-pyridylmeth-yl)piperazine units, which are anchored to the coordination polymer chain motifs by N-H?O hydrogen bonding.

| S-EPMC2972020 | biostudies-literature

Poly[[bis-[?-1,4-bis-(3-pyridylmeth-yl)piperazine-?N:N']dichlorido-cadmium(II)] tetra-hydrate].

Project description:In the title compound, {[CdCl(2)(C(16)H(20)N(4))(2)]·4H(2)O}(n), octa-hedrally coordinated Cd(II) ions, situated on crystallographic inversion centres, bearing trans-disposed chloride ligands, are linked into (4,4)-grid coordination polymer layers by tethering 1,4-bis-(3-pyridylmeth-yl)piperazine ligands. The layers are aligned parallel to the (01) crystal planes and aggregate by means of O-H?N, O-H?O and O-H?Cl hydrogen-bonding mechanisms imparted by cyclic water mol-ecule tetra-mers.

| S-EPMC2977128 | biostudies-other

catena-Poly[[diaqua-cadmium(II)]bis-(?-2,2-dimethyl-butane-dioato-?O,O':O'',O''')[diaqua-cadmium(II)]-?-1,4-bis-(3-pyridylmeth-yl)piperazine-?N:N].

Project description:In the title compound, [Cd(2)(C(6)H(8)O(4))(2)(C(16)H(20)N(4))(H(2)O)(4)](n), penta-gonal-bipyramidally coordinated Cd(II) ions are connected into {Cd(2)(2,2-dimethyl-succinate)(2)(H(2)O)(4)} centrosymmetric dimeric clusters. In turn, these clusters are linked by tethering 1,4-bis-(3-pyridylmeth-yl)piperazine (3-bpmp) ligands into [Cd(2)(2,2-dimethyl-succinate)(2)(3-bpmp)(H(2)O)(4)](n) coordination polymer chains. The chain motifs are oriented parallel to [10]. Individual chains are connected into supra-molecular layers via O-H?N and O-H?O hydrogen-bonding mechanisms.

| S-EPMC2979442 | biostudies-literature

catena-Poly[[aqua-[1,4-bis-(1H-imidazol-4-yl)benzene]cadmium]-μ(3)-5-methyl-isophthalato].

Project description:In the title coordination polymer, [Cd(C(9)H(6)O(4))(C(12)H(10)N(4))(H(2)O)](n), the Cd(II) atom has a NO(6) donor set and is coord-inated by five carboxyl-ate O atoms from three different 5-methyl-1,3-phenyl-enediacetate (pda(2-)) anions, one O atom from a water mol-ecule and one N atom from a 1,4-bis-(1H-imidazol-4-yl)benzene (L) ligand, displaying a highly distorted penta-gonal-bipyramidal geometry. Each pda(2-) anion acts as a μ(3)-bridge, linking Cd(II) atoms to form one-dimensional slabs extending parallel to [010]. In the crystal, adjacent mol-ecules are linked through N-H⋯N and N-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3200974 | biostudies-literature

Aqua-{4,4',6,6'-tetra-fluoro-2,2'-[(piperazine-1,4-di-yl)dimethyl-ene]diphenolato}copper(II).

Project description:In the title compound, [Cu(C(18)H(16)F(4)N(2)O(2))(H(2)O)], the Cu(II) atom shows a distorted square-pyramidal coordination geometry with the N,N',O,O'-tetra-dentate piperazine-diphenolate ligand forming the basal plane. The apical site is occupied by the O atom of a coordinated water mol-ecule. Neighbouring complexes are associated through inter-molecular O-H?O and O-H?F hydrogen bonds between the water mol-ecule and a phenolate O atom or an F atom from an adjacent ligand, respectively, forming a centrosymmetric dimer. Dimers are linked by additional inter-molecular C-H?O and C-H?F hydrogen bonds, giving infinite chains propagating along the a axis.

| S-EPMC3009016 | biostudies-literature

[(6-Methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine][(2-pyridylmeth-yl)amine]copper(II) bis-(perchlorate).

Project description:The title compound, [Cu(C(6)H(8)N(2))(C(13)H(15)N(3))](ClO(4))(2), is a mixed ligand complex with the Cu(II) atom coordinated by (6-methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine, acting as a tridentate ligand, and 2-(2-amino-meth-yl)pyridine, as a bidentate ligand, leading to an N(5) square-pyramidal geometry. The amine H atoms are involved in hydrogen bonding to the perchlorate O atoms and there are extensive but weak inter-molecular C-H⋯O inter-actions in the crystal structure. The perchlorate ions are each disordered over two positions, with site occupancies of 0.601 (8):0.399 (8) and 0.659 (11):0.341 (11).

| S-EPMC2914953 | biostudies-literature

catena-Poly[[[tetra-aqua-magnesium]-trans-?-[(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nato] hemihydrate].

Project description:The structure of the title polymer, }[Mg(C6H14N2O6P2)(H2O)4]·0.5H2O} n , is based on centrosymmetric MgO6 octahedra, which are linked by [(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nate ligands, forming chains parallel to [1-1-1]. These chains are connected via hydrogen bonds primarily formed between the phospho-nate groups and water mol-ecules. The latter constitute four of the corners of the MgO6 polyhedra and bind to the O atoms of the phospho-nate groups of neighbouring chains. The lattice water molecule is disordered around an inversion centre, exhibiting an occupancy of 0.25.

| S-EPMC3793689 | biostudies-literature

(Acetonitrile)[bis-(2-pyridylmeth-yl)amine]bis-(perchlorato)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(C(12)H(13)N(3))(C(2)H(3)N)], the Cu(II) atom is six-coordinate in a Jahn-Teller distorted octahedral geometry, with coordination by the tridentate chelating ligand, an acetonitrile mol-ecule, and two axial perchlorate anions. The tridentate ligand bis-(2-pyridylmeth-yl)amine chelates meridionally and equatorially while an acetonitrile mol-ecule is coordinated at the fourth equatorial site. The two perchlorate anions are disordered with site occupancy factors of 0.72/0.28. The amine H is involved in intra-molecular hydrogen bonding to the perchlorate O atoms and there are extensive but weak inter-molecular C-H?O inter-actions.

| S-EPMC2915155 | biostudies-literature

Poly[[di-aqua-[?-1,4-bis(pyridin-4-ylmeth-yl)piperazine-?(2) N:N']{?-2,2'-[(1,4-phenyl-ene)bis(-oxy)]di-acetato-?(2) O:O'}cobalt(II)] penta-hydrate].

Project description:In the title compound, {[Co(C10H8O6)(C16H20N4)(H2O)2]·5H2O} n , octa-hedrally coordinated Co(II) ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydro-quinone-O,O'-di-acetate (hqda) anions {systematic name: 2,2'-[(1,4-phenyl-ene)bis-(-oxy)]di-acetate}, two trans-pyridine N-donor atoms from two bis-(pyridin-4-ylmeth-yl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H2O)2] n coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O-H?O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water mol-ecules of crystallization occupy incipient channels along [100]. However, these could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]; the crystal data take the presence of these mol-ecules into account. The crystal under investigation was twinned by non-merohedry, the twin fraction of the components being 53.3% and 46.7%. Only data from the major twin component were used in the refinement.

| S-EPMC4051029 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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