Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

?-1,4-Bis(pyridin-4-ylmeth-yl)piperazine-?N:N'-bis-[aqua-bis-(3-bromo-5-carb-oxy-benzoato-?O)copper(II)].

ABSTRACT: In the title compound, [Cu(2)(C(8)H(4)BrO(4))(4)(C(16)H(20)N(4))(H(2)O)(2)], slightly distorted square-planar-coordinated Cu(II) ions are bound by one aqua ligand and two monodentate 3-bromo-5-carb-oxy-benzoate anions, and linked into a centrosymmetric dinuclear mol-ecule by a bridging 1,4-bis-(pyridin-4-ylmeth-yl)piperazine (4-bpmp) ligand. In the crystal, mol-ecules are connected into a supra-molecular two-dimensional network parallel to (131) via O-H?O hydrogen bonds involving the aqua ligands and 3-bromo-5-carb-oxy-benzoate carboxyl-ate groups.

SUBMITTER: Meyer JL

PROVIDER: S-EPMC3274888 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

μ-1,4-Bis(pyridin-4-ylmeth-yl)piperazine-κN:N'-bis-[aqua-bis-(3-bromo-5-carb-oxy-benzoato-κO)copper(II)].

Meyer Jodi L JL Laduca Robert L RL

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

In the title compound, [Cu(2)(C(8)H(4)BrO(4))(4)(C(16)H(20)N(4))(H(2)O)(2)], slightly distorted square-planar-coordinated Cu(II) ions are bound by one aqua ligand and two monodentate 3-bromo-5-carb-oxy-benzoate anions, and linked into a centrosymmetric dinuclear mol-ecule by a bridging 1,4-bis-(pyridin-4-ylmeth-yl)piperazine (4-bpmp) ligand. In the crystal, mol-ecules are connected into a supra-molecular two-dimensional network parallel to (131) via O-H⋯O hydrogen bonds involving the aqua ligand ...[more]

PMID: 22346835

Similar Datasets

(2S*,5R*)-2,5-Dimethyl-1,4-bis-(pyridin-2-ylmeth-yl)piperazine.

Project description:The title compound, C18H24N4, resides on a crystallographic inversion centre, so that the asymmetric unit comprises one half-mol-ecule. The piperazine ring adopts a chair conformation, with the mean planes of the two equatorial pyridine rings parallel to each other and separated by 2.54?(3)?Å. No classical hydrogen bonds are observed.

| S-EPMC3770377 | 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

catena-Poly[[bis-(nitrato-?O)copper(II)]-bis-[?-1,4-bis-(pyridin-3-ylmeth-oxy)benzene-?N:N']].

Project description:In the title compound, [Cu(NO(3))(2)(C(18)H(16)N(2)O(2))(2)](n), the Cu(II) ion lies on an inversion center and is six-coordinated in a Jahn-Teller-distored octa-hedral geometry defined by four N atoms of the pyridine derivative forming a square plane, above and below which are the O atoms of the nitrate anion. The ligand links the metal atoms linto a linear chain running along the a axis. One of the nitrate O atoms is equally disordered over two sets of sites.

| S-EPMC3120522 | biostudies-literature

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

Project description: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.

| S-EPMC2983567 | biostudies-literature

1,4-Bis(pyridin-3-ylmeth-oxy)benzene.

Project description:The asymmetric unit of the centrosymmetric title compound, C(18)H(16)N(2)O(2), contains one half-mol-ecule. The central benzene ring forms a dihedral angle of 66.8?(1)° with two outer aromatic rings. In the crystal structure, weak inter-molecular C-H?N hydrogen bonds link mol-ecules into sheets parallel to (104).

| S-EPMC2970419 | biostudies-other

Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-?N]cobalt(II).

Project description:In the title compound, [Co(C(12)H(8)NO(2))(2)(H(2)O)(4)], the Co atom lies on a twofold rotation axis and has an N(2)O(4) octa-hedral coordination environment formed by four O atoms of water mol-ecules in the equatorial plane and two apical N atoms of pyridine groups. An intricate three-dimensional supra-molecular network is formed by multiple O-H?O hydrogen bonds between the coordinated water mol-ecules and the uncoordinated carboxyl-ate groups.

| S-EPMC3238651 | biostudies-literature

Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-?N]manganese(II).

Project description:In the title compound, [Mn(C(12)H(8)NO(2))(2)(H(2)O)(4)], the Mn(2+) ion lies on a twofold rotation axis and has a distorted N(2)O(4) octa-hedral coordination geometry formed by four water O atoms in the equatorial plane and two apical pyridyl N atoms. A three-dimensional network is formed in the crystal structure by multiple O-H?O hydrogen bonds between the coordin-ating water molecules and the free carboxylate groups.

| S-EPMC3344315 | biostudies-literature

1,4-Bis(carb-oxy-meth-yl)piperazine-1,4-diium bis-(dihydrogen phosphate) dihydrate.

Project description:In the title salt, C(8)H(16)N(2)O(4) (2+)·2H(2)PO(4) (-)·2H(2)O, the piperazine ring is located around an inversion center and adopts a chair conformation. The dihydrogen phosphate anions and free water mol-ecules are linked via O-H?O hydrogen bonds into two-dimensional hydrogen-bonding layers, which are further connected through O-H?O and N-H?O hydrogen bonds involving the protonated piperazine into a three-dimensional supra-molecular network.

| S-EPMC2983230 | biostudies-other

Bis(?-4-bromo-benzoato)-?O,O':O';O:O,O'-bis-[?-1,3-bis-(pyridin-4-yl)propane-?N:N']bis-[(4-bromo-benzoato-?O,O')cadmium].

Project description:The dinuclear complex, [Cd(2)(C(7)H(4)BrO(2))(4)(C(13)H(14)N(2))(2)], lies on a twofold rotation axis crossing midway between the two metal atoms. The Cd(II) cation is seven-coordinated with a geometry that can be considered as distorted penta-gonal bipyramidal, with the N atom of the N-heterocyclic units occupying the apical sites and the O atoms of the 4-bromo-benzoate units in the equatorial plane. The middle methyl-ene group of the 1,3-bis-(4-pyrid-yl)propane ligands is located outside of the twofold rotation axis and consequently is disordered over two sites around this symmetry element with fixed occupancies factors of 0.5.

| S-EPMC3247541 | biostudies-literature

Aqua-bis-[4-(methyl-sulfan-yl)benzoato-?O]bis-(pyridine-?N)copper(II).

Project description:In the title mol-ecule, [Cu(C(8)H(7)O(2)S)(2)(C(5)H(5)N)(2)(H(2)O)], the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of two 4-(methyl-sulfan-yl)benzoate anions and two N atoms of two pyridine ligands and a water O atom situated at the apical site. In the crystal structure, O-H?O hydrogen bonds link mol-ecules into chains along the b axis.

| S-EPMC2983350 | 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