Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[di-methyl-ammonium [(μ2-benzene-1,2-di-carboxyl-ato-κ(2) O (1):O (3))[μ2-3-(pyri-din-4-yl)-1H-pyrazol-1-ido-κ(2) N (1):N (3)]cuprate(II)]].

ABSTRACT: In the title complex, {(C2H8N)[Cu(C8H4O4)(C8H6N3)]} n , there are two Cu(II) cations (each located on a centre of inversion), one benzene-1,2-di-carboxyl-ate dianion, one 3-(pyridin-4-yl)-1H-pyrazol-1-ide anion and one di-methyl-ammonium cation in the asymmetric unit. The di-methyl-ammonium cation was highly disordered and was treated with the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]; the crystallographic data takes into account the presence of the cation. Each Cu(II) cation exhibits a square-planar coordination geometry. A benzene-1,2-di-carboxyl-ate dianion bridges two Cu(II) cations, building a linear chain along [001]. The chains are connected by 3-(pyridin-4-yl)-1H-pyrazol-1-ide anions, constructing a layer parallel to (101). The layers are assembled into a three-dimensional supra-molecular network through C-H⋯π inter-actions.

SUBMITTER: Na L

PROVIDER: S-EPMC3772430 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[di-methyl-ammonium [(μ2-benzene-1,2-di-carboxyl-ato-κ(2) O (1):O (3))[μ2-3-(pyri-din-4-yl)-1H-pyrazol-1-ido-κ(2) N (1):N (3)]cuprate(II)]].

Na Liu L

Acta crystallographica. Section E, Structure reports online 20130619 Pt 7

In the title complex, {(C2H8N)[Cu(C8H4O4)(C8H6N3)]} n , there are two Cu(II) cations (each located on a centre of inversion), one benzene-1,2-di-carboxyl-ate dianion, one 3-(pyridin-4-yl)-1H-pyrazol-1-ide anion and one di-methyl-ammonium cation in the asymmetric unit. The di-methyl-ammonium cation was highly disordered and was treated with the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]; the crystallographic data takes into account the presence of the cation. Each Cu(II) ...[more]

PMID: 24046573

Similar Datasets

Crystal structure of [2-({4-[2,6-bis(pyri-din-2-yl)pyri-din-4-yl]phenyl}(methyl)amino)-ethanol-κ(3) N,N',N'']bis-(thio-cyan-ato-κN)zinc N,N-di-methyl-formamide monosolvate.

Project description:In the title compound, [Zn(NCS)2(C24H22N4O)]·C3H7NO, the Zn(II) cation is N,N',N''-chelated by one 2-({4-[2,6-bis-(pyridin-2-yl)pyridin-4-yl]phen-yl}(meth-yl)amino)-ethanol ligand and coordinated by two thio-cyanate anions in a distorted N5 trigonal-bipyramidal geometry. In the mol-ecule, the three pyridine rings are approximately coplanar [maximum deviation = 0.026 (5) Å], and the mean plane of the three pyridine rings is twisted to the benzene ring with a small dihedral angle of 5.9 (2)°. In the crystal, complex mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains propagated along [110]; π-π stacking is observed between adjacent chains [centroid-centroid distance = 3.678 (4) Å]. The di-methyl-formamide solvent mol-ecules are linked with the complex chains via weak C-H⋯O hydrogen bonds.

| S-EPMC4257219 | biostudies-literature

Structure of poly[di-aqua-[μ-1,2-bis-(pyri-din-4-yl)ethane-κ(2) N:N']bis-(μ3-cyclo-butane-1,1-di-carboxyl-ato-κ(3) O,O':O'':O''')dimanganese(II)].

Project description:In the title compound, [Mn(C6H6O4)(C12H12N2)(H2O)] n , the cyclo-butane-1,1-di-carboxyl-ate (cbdc) ligands bridge three Mn(II) ions, forming layers parallel to the ac plane. These layers are additionally connected by 1,2-bis-(pyridin-4-yl)ethane ligands to form a three-dimensional polymeric framework. An inversion centre is located at the mid-point of the central C-C bond of the 1,2-bis-(pyridin-4-yl)ethane ligand. The coordination geometry of the Mn(II) ion is distorted octa-hedral and is built up by four carboxyl-ate O atoms, one water O atom and a pyridyl N atom. The pyridine ligand and the coordinating water mol-ecule are in a trans configuration. One carboxyl-ate group of the cbdc ligand acts as a chelating ligand towards one Mn(II) atom, whereas the second carboxyl-ate group coordinates two different Mn(II) atoms.

| S-EPMC4571379 | biostudies-literature

Crystal structure of poly[di-aqua-(μ2-benzene-1,4-di-carboxyl-ato-κ(2) O (1):O (4))(μ2-benzene-1,4-di-carboxyl-ato-κ(4) O (1),O (1'):O (4),O (4'))bis-(μ2-3,3',5,5'-tetra-methyl-4,4'-bi-pyrazole-κ(2) N:N')dinickel(II)].

Project description:The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)] n , contains one Ni(2+) cation, one coordinating water mol-ecule, one 3,3',5,5'-tetra-methyl-4,4'-bi-pyrazole ligand and half each of two benzene-1,4-di-carboxyl-ate anions, the other halves being generated by inversion symmetry. The Ni(2+) cation exhibits an octa-hedral N2O4 coordination sphere defined by the O atoms of the water mol-ecule and two different anions and the N atoms of two symmetry-related N-heterocycles. The N-heterocycles and both anions bridge adjacent Ni(2+) cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N-H⋯O and O-H⋯O hydrogen bonds between the N-heterocycles and water mol-ecules as donor groups and the carboxyl-ate O atoms as acceptor groups consolidate the crystal packing.

| S-EPMC4459351 | biostudies-literature

Dipyridinium diaqua-bis-(pyrazole-3,5-di-carboxyl-ato-κ(2) N,O)cuprate(II) dihydrate.

Project description:In the mononuclear title salt, (C5H6N)2[Cu(C5H2N2O4)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and is coordinated by two chelating pyrazole-3,5-dicarboxyl-ate anions and two water mol-ecules, forming a Jahn-Teller-distorted CuN2O4 octa-hedron. O-H⋯O and N-H⋯O hydrogen bonds are formed between water mol-ecules, complex anions and the pyridine counter-cations, leading to the formation of layers parallel to (100). The layers are held together by weak C-H⋯O hydrogen bonds.

| S-EPMC3588750 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(1,2-di-cyano-ethene-1,2-di-thiol-ato-κ(2) S,S')cuprate(II).

Project description:In the title ion-pair complex, (C12H14N2)[Cu(C4N2S2)2], the complex anion exhibits a highly twisted coordination environment around the tetra-coordinated Cu(II) atom. The dihedral angles between the 1,2-di-cyano-ethene-1,2-di-thiol-ato ligands and between the two pyridine rings in the cation are 37.49 (3) and 29.18 (10)°, respectively. Weak C-H⋯N and C-H⋯S hydrogen bonds link the cations and anions into a three-dimensional network.

| S-EPMC3684877 | biostudies-literature

1,5-Dimethyl-2-phenyl-4-[phenyl(pyri-din-2-ylamino)methyl]-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(23)H(22)N(4)O, the pyrazole ring makes dihedral angles of 45.57 (11)° with the attached phenyl ring, and 83.98 (10) and 67.85 (10) °, respectively, with the other phenyl ring and the pyridyl ring. The pyridyl ring makes a dihedral angle of 80.15 (10)° with the adjacent phenyl ring. In the crystal, N-H⋯O hydrogen bonds supplemented by weak C-H⋯O hydrogen bonds link the mol-ecules into chains which run parallel to the a-axis direction.

| S-EPMC3515284 | biostudies-literature

Crystal structure of poly[[μ2-di-aqua-di-aqua-μ2-l-proline-κ(2) O:O'-strontium] dibromide].

Project description:In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2} n , the proline mol-ecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The Sr(II) ion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxyl-ate O atoms of the proline ligands, with two bridging [Sr-O range = 2.524 (4)-2.800 (5) Å]. In the crystal, there is no direct inter-action between the proline mol-ecules. However, the proline and water mol-ecules associate with the bromide counter-anions through a number of inter-molecular O-H⋯Br and N-H⋯Br hydrogen-bonding inter-actions, giving a three-dimensional supra-molecular structure.

| S-EPMC4647404 | biostudies-literature

Dimethyl-ammonium diaqua-(pyridine-2,4-dicarboxyl-ato-?N,O)cuprate(II).

Project description:The asymmetric unit of the title compound, (C(2)H(8)N)(2)[Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)], contains one-half of a mononuclear [Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)](2-) anion, one dimethyl-ammonium cation and one aqua ligand. The Cu(II) atom, lying on an inversion center, is coordinated by two symmetry-related N atoms and two O atoms from one pyridine-2,4-dicarboxyl-ate ligand and two symmetry-related aqua ligands and exhibits a distorted octa-hedral trans-[CuN(2)O(4)] coordination geometry. Multiple crystallographically independent O-H?O and N-H?O hydrogen bonds form a three-dimensional network in the crystal structure.

| S-EPMC2979830 | biostudies-other

Di-methyl-ammonium tetra-aqua-(hydrogen-sulfato)-sulfato-cuprate(II).

Project description:In the title salt, [(CH3)2NH2][Cu(HSO4)(SO4)(H2O)4], one type of cation and anion is present in the asymmetric unit. The Cu(II) atom in the complex anion, [Cu(HSO4)(SO4)(H2O)4](-), has a tetra-gonal bipyramidal [4 + 2] coordination caused by a Jahn-Teller distortion, with the aqua ligands in equatorial and two O atoms of tetra-hedral HSO4 and SO4 units in apical positions. Both types of ions form sheets parallel to (010). The inter-connection within and between the sheets is reinforced by O-H⋯O and N-H⋯O hydrogen bonds, respectively, involving the water mol-ecules, the two types of sulfate anions and the ammonium groups.

| S-EPMC3998589 | biostudies-literature

(3-Acetyl-5-carboxyl-ato-4-methyl-1H-pyrazol-1-ido-κ(2) N (1),O (5))aqua-[(pyridin-2-yl)methanamine-κ(2) N,N']copper(II).

Project description:In the title compound, [Cu(C7H6N2O3)(C6H8N2)(H2O)], the Cu(II) ion is in a distorted square-pyramidal N3O2 environment formed by two bidentate chelating ligands in the equatorial coordination sites and one water mol-ecule in the apical direction. In the crystal, O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds link the complex mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3588718 | 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