Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[(5-bromo-pyridin-2-yl)methano-lato-?(2) N,O]copper(II) monohydrate.

ABSTRACT: In the title compound, [Cu(C6H5BrNO)2]·H2O, the Cu(II) ion has a square-planer N2O2 coordination environment. Slipped ?-? stackings [centroid-centroid distances: 3.625?(3), 3.767?(3), 3.935?(3) and 4.255?(3)?Å] between pyridine rings and Cu?? inter-actions (centroid-to-Cu(II) distance: 3.56?Å) between Cu(2+) ions and pyridine rings lead to a layered arrangement parallel to (010). Inter-molecular Br?O inter-actions [Br?O distances: 2.904?(3) and 3.042?(3)?Å] and O-H?O hydrogen bonds form a three-dimensional network structure.

SUBMITTER: Hamaguchi T

PROVIDER: S-EPMC3884248 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[(5-bromo-pyridin-2-yl)methano-lato-κ(2) N,O]copper(II) monohydrate.

Hamaguchi Tomohiko T Kawahara Issei I Ando Isao I

Acta crystallographica. Section E, Structure reports online 20131005 Pt 11

In the title compound, [Cu(C6H5BrNO)2]·H2O, the Cu(II) ion has a square-planer N2O2 coordination environment. Slipped π-π stackings [centroid-centroid distances: 3.625 (3), 3.767 (3), 3.935 (3) and 4.255 (3) Å] between pyridine rings and Cu⋯π inter-actions (centroid-to-Cu(II) distance: 3.56 Å) between Cu(2+) ions and pyridine rings lead to a layered arrangement parallel to (010). Inter-molecular Br⋯O inter-actions [Br⋯O distances: 2.904 (3) and 3.042 (3) Å] and O-H⋯O hydrogen bonds form a three- ...[more]

PMID: 24454024

Similar Datasets

Crystal structure of bis-[?-meth-oxy(pyridin-2-yl)methano-lato-?(3) N,O:O]bis[chlorido-copper(II)].

Project description:The racemic title compound, [Cu2(C7H8NO2)2Cl2], is composed of dinuclear mol-ecules in which meth-oxy(pyridin-2-yl)methano-late ligands bridge two symmetry-related Cu(II) ions. Each Cu(II) ion is coordinated in a square-planar geometry by one Cl atom, the N and O atoms of the bidentate ligand and the bridging O atom of the centrosymmetrically related bidentate ligand. The separation between the two Cu(II) atoms is 3.005?(1)?Å. In the crystal, non-classical C-H?O hydrogen bonds, weak ?-? stacking [centroid-centroid distance = 4.073?(1)?Å] and weak electrostatic Cu?Cl inter-actions [3.023?(1)?Å] link the dinuclear mol-ecules into chains running parallel to the b axis. These chains are further connected by weak C-H?Cl hydrogen bonds directed approximately along the a axis, forming a three-dimensional supra-molecular network.

| S-EPMC4384564 | biostudies-literature

Bis[μ-2-(pyridin-2-yl)ethano-lato]bis-[bromidocopper(II)].

Project description:The title compound, [Cu(2)Br(2)(C(7)H(8)NO)(2)], was synthesized by reaction of CuBr(2) with 2-(pyridin-2-yl)ethanol (hep-H) in methanol. The asymmetric unit consists of one hep ligand and a CuBr unit. The Cu(2+) ion is thereby coordinated by the N atom and the deprotonated hydroxy O atom in a distorted square-planar geometry that is completed by another O atom. The latter acts as bridging ligand towards the second, symmetry-equivalent, Cu atom, thus generating a centrosymmetric dimeric unit, with the inversion centre halfway between the Cu atoms. These units are linked via C-H⋯Br and C-H⋯O hydrogen bonds, leading to the formation of a hydrogen-bonded one-dimensional-polymeric chain along a..

| S-EPMC3247533 | biostudies-literature

Diaqua-bis[2-(4-bromo-phen-yl)acetato]bis-(N,N-dimethyl-pyridin-4-amine)copper(II).

Project description:In the title compound, [Cu(C(8)H(6)BrO(2))(2)(C(7)H(10)N(2))(2)(H(2)O)(2)], the Cu(II) atom (site symmetry ) adopts a Jahn-Teller-distorted trans-CuN(2)O(4) octa-hedral coordination, with the aqua O atoms in axially extended sites. An intra-molecular O-H?O hydrogen bond helps to establish the conformation and an inter-molecular O-H?O hydrogen bond is seen in the crystal packing.

| S-EPMC2970236 | biostudies-literature

[Aqua-bis-(nitrato-κO)copper(II)]-μ-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua-(nitrato-κO)copper(II)] nitrate monohydrate.

Project description:In the title binuclear complex, [Cu2(NO3)3(C18H16N6Se)(H2O)3]NO3·H2O, the Cu(II) ions are penta-coordinated in a tetra-gonal-pyramidal geometry. In both cases, the equatorial planes are formed by a chelating pyrazole-pyridine group, a water mol-ecule and a nitrate O atom, whereas the apical positions are occupied by a water mol-ecule for one Cu(II) ion and a nitrate O atom for the other. The organic selenide ligand adopts a trans configuration with respect to the C-Se-C plane. Numerous inter-molecular O-H⋯O and N-H⋯O hydrogen bonds between the coordinating and lattice water mol-ecules, nitrate anions and pyrazole groups are observed. π-π stacking inter-actions between the pyridine rings [averaged centroid-centroid distance = 3.652 (5) Å] are also present. The lattice water molecule is equally disordered over two sets of sites.

| S-EPMC3588734 | biostudies-literature

?-Acetato-aqua-?-(5-bromo-2-{1,3-bis-[2-(5-bromo-2-oxidobenzyl-idene-amino)-eth-yl]imidazolidin-2-yl}phenolato)methano-ldinickel(II) methanol disolvate monohydrate.

Project description:The crystal structure of the title compound, [Ni(2)(C(27)H(24)Br(3)N(4)O(3))(CH(3)CO(2))(CH(3)OH)(H(2)O)]·2CH(3)OH·H(2)O contains [L(OAc){(CH(3)OH)Ni}{(H(2)O)Ni}] mol-ecules {H(3)L = 2-(5-bromo-2-hy-droxy-phen-yl)-1,3-bis-[4-(5-bromo-2-hy-droxy-phen-yl)-3-aza-but-3-en-yl]-1,3-imidazolidine} with additional water and two methanol solvent mol-ecules. In this instance, one of the two Ni atoms is coordinated to a water and the other to a methanol mol-ecule. The Ni-O and Ni-N distances, as well as the angles about the metal atoms, show quite regular octa-hedra around the central ions. The Ni-O(phenol)-Ni and Ni-O(acetate)-Ni angles are not similar [95.26?(13) and 97.34?(13)°, respectively], indicating that this subtle solvate exchange induces significant differences in the conformation adopted. The coordinated methanol ligand is involved in an intra-molecular hydrogen bond to the uncoordinated O atom of the bridging acetate ligand, while the coordinated water mol-ecule forms a hydrogen bond with the one of the methanol solvent mol-ecules. The water solvent mol-ecule forms strong hydrogen bonds to both phenolate O atoms. The remaining methanol solvent mol-ecule also forms a hydrogen bond with this solvent water mol-ecule.

| S-EPMC3201549 | biostudies-literature

?(2)-Acetone-diacetone[?(3)-tris-(trifluoro-meth-yl)methano-lato]bis-[?(2)-tris-(trifluoro-meth-yl)methano-lato]trilithium.

Project description:The title compound, [Li(3)(C(4)F(9)O)(3)(C(3)H(6)O)(3)], features an open Li/O cube with an Li ion missing at one corner. Three of the four bridging O atoms of the cube carry a fluorinated tert-butyl residue, whereas the fourth is part of an acetone mol-ecule. Two of the Li atoms are further bonded to a non-bridging acetone mol-ecule. Two of the lithium ion coordination geometries are very distorted LiO(4) tetra-hedra; the third could be described as a very distorted LiO(3) T-shape with two distant F-atom neighbours. The Li?Li contact distances for the three-coordinate Li(+) ion [2.608?(14) and 2.631?(12)?Å] are much shorter that the contact distance [2.940?(13)?Å] between the tetra-hedrally coordinated species.

| S-EPMC3011566 | biostudies-literature

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H⋯O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A π-π inter-action [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H⋯O inter-actions also occur.

| S-EPMC3684881 | biostudies-literature

Bis{?-2-[(pyridin-2-yl)imino-meth-yl]phenolato}bis-[(2-formyl-phenolato)copper(II)].

Project description:The asymmetric unit of the title compound, [Cu(2)(C(12)H(9)N(2)O)(2)(C(7)H(5)O(2))(2)], contains two independent (2-formyl-phen-olato){2-[(pyridin-2-yl)imino-meth-yl]phenolato}copper(II) mol-ecules that form pseudocentrosymmetric dimers via inter-actions between the Cu and pyridyl N atoms of independent monomers. The square-planar geometry of the Cu atoms in the monomer thus becomes square-based pyramidal in the dimer. The crystal studied was an inversion twin, with unequal populations of 0.353?(17) and 0.647?(17).

| S-EPMC3120375 | biostudies-literature

Bis[μ-3,5-bis-(pyridin-2-yl)pyrazolato]bis-[(hexa-fluoro-phosphato)copper(II)].

Project description:The title dinuclear complex mol-ecule, [Cu2(C13H9N4)2(PF6)2], lies about an inversion center. The Cu(II) atom shows a square-pyramidal coordination geometry with the basal plane formed by four N atoms of the two bis-chelating 3,5-bis-(pyridin-2-yl)pyrazolate ions and with one F atom of the hexa-fluoro-phosphate ion in the apical position. Mol-ecules are stacked in a column along the a axis through C-H⋯F hydrogen bonds. The columns are further linked by other C-H⋯F hydrogen bonds, forming a three-dimensional network.

| S-EPMC3793691 | biostudies-literature

{1,1'-Bis[(pyridin-2-yl)meth-yl]-2,2'-bipiperid-yl}(perchlorato)copper(II) perchlorate.

Project description:The title complex, [CuII(ClO4)(mesoPYBP)](ClO4) {PYBP = 1,1'-bis-[(pyridin-2-yl)meth-yl]-2,2'-bipiperidyl, C22H30N4}, was prepared and found to crystallize with two crystallographically independent complex salt moieties. The metal atoms of the cations adopt a pseudo-square-pyramidal coordination geometry, where the tetra-dentate amino-pyridine ligands (PYBP) are wrapped around the Cu atoms in the equatorial plane. The Cu-O bonds involving an O atom of the coordinating perchlorate anion are approximately perpendicular to the plane. The two remaining non-coordinating perchlorate anions are involved in several C-H?O hydrogen bonds with the PYBP ligand and balance the total charge of the complex salt. The two crystallographically independent moieties are related to each other via a pseudo-translation along the a-axis direction. Exact translational symmetry is broken by (i) a difference in the conformation of one of the piperidine rings, featuring a chair conformation in one of the cations, and a sterically disfavored boat conformation in the other; and (ii) by modulation of the non-coordinating perchlorate anions.

| S-EPMC5499296 | 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