Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(acetato-?O,O')bis-(3,5-dimethyl-1H-pyrazole-?N)copper(II).

ABSTRACT: In the title compound, [Cu(C(2)H(3)O(2))(2)(C(5)H(8)N(2))(2)], the Cu(II) atom has a distorted tetra-gonal-bipyramidal geometry, with the equatorial plane formed by two N atoms belonging to two 3,5-dimethyl-1H-pyrazole ligands and two O atoms from two acetate anions. The second O atoms of the acetate groups provide elongated Cu-O axial contacts, so that the acetates appear to be coordinated in a pseudo-chelate fashion. The pyrazole ligands are situated in cis positions with respect to each other. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming a one-dimensional chain.

SUBMITTER: Davydenko YM

PROVIDER: S-EPMC2969789 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Chloridotris(3,5-dimethyl-1H-pyrazole-?N)(formato-?O)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-?N)copper(II) (2/1).

Project description:The asymmetric unit of the title compound, [Cu(CHO(2))Cl(C(5)H(8)N(2))(3)](2)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a chloride anion in an axial position [Cu-Cl = 2.4275?(7)?Å] in a distorted tetra-gonal-pyramidal geometry. The Cu(II) atom in B is coordinated by two N atoms from two L ligands and two chloride anions [Cu-Cl = 2.2524?(6)?Å] in a distorted square-planar geometry. In the crystal, inter-molecular N-H?O hydrogen bonds link mol-ecules A into centrosymmetric dimers. Inter-molecular N-H?Cl hydrogen bonds further link these dimers with the B mol-ecules, forming chains propagating in [101].

| S-EPMC3120383 | biostudies-literature

Aqua-bis(3,5-dimethyl-1H-pyrazole-κN)(oxalato-κO,O')copper(II).

Project description:In the title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)(H(2)O)], the Cu(II) atom is coordinated in a slightly distorted square-pyramidal geometry by two N atoms belonging to the two 3,5-dimethyl-1H-pyrazole ligands, two O atoms of the oxalate anion providing an O,O'-chelating coordination mode, and an O atom of the water mol-ecule occupying the apical position. The crystal packing shows a well defined layer structure. Intra-layer connections are realised through a system of hydrogen bonds while the nature of the inter-layer inter-actions is completely hydro-phobic, including no hydrogen-bonding inter-actions.

| S-EPMC2914925 | biostudies-literature

Aqua-bis-(3,5-dimethyl-1H-pyrazole-?N)(oxydiacetato-?O,O',O'')copper(II) dihydrate.

Project description:In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octa-hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol-ecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu-O bond [2.597?(3)?Å], and both chelating rings display envelope conformations. In the mol-ecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5?(3)°. Extensive inter-molecular O-H?O and N-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3120427 | biostudies-literature

Bis(3,5-dimethyl-1H-pyrazole-?N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)copper(II).

Project description:In the crystal structure of the title compound, [Cu(C(7)H(3)NO(4))(C(5)H(8)N(2))(2)], the Cu(II) cation assumes a distorted trigonal-bipyramidal coordination geometry formed by a pyridine-2,6-dicarboxyl-ate dianion and two 3,5-dimethyl-1H-pyrazole mol-ecules. N-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC2968447 | biostudies-literature

Tetra-?-acetato-?O:O'-bis-[(3,5-di-methyl-1H-pyrazole-?N)-copper(II)].

Project description:The dinuclear centrosymmetric title compound, [Cu(2)(CH(3)CO(2))(4)(C(5)H(8)N(2))(2)], has a distorted square-pyramidal coordination geometry around each Cu(II) atom in which four O atoms from the bridging acetate ligands form the basal plane while two N atoms from the pyrazole ligands occupy the apical positions. The crystal has two half mol-ecules in the asymmetric unit with a Cu?Cu distance of 2.6762?(4)?Å. Disorder was found for two O atoms and two C atoms of one acetate ligand and refined with occupancies of 0.265?(7) and 0.735?(7). The crystal also features mol-ecules linked through two N-H?O hydrogen bonds resulting in one-dimensional chains extending along the crystallographic b axis.

| S-EPMC3200851 | biostudies-other

Bis(3,5-dimethyl-pyrazole)[N-salicyl-idene-?-alaninato(2-)]copper(II) dihydrate.

Project description:In the title compound, [Cu(C(10)H(10)NO(3))(C(5)H(8)N(2))(2)]·2H(2)O, the Cu(II) atom is coordinated by three N atoms and two O atoms in a distorted square-pyramidal geometry. The crystal packing is stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2915162 | biostudies-literature

Dibromidobis(3,5-dimethyl-1H-pyrazole-κN)cobalt(II).

Project description:In the mononuclear title complex, [CoBr(2)(C(5)H(8)N(2))(2)], the Co(II) atom is coordinated by two N atoms from two monodentate 3,5-dimethyl-pyrazole ligands and two Br atoms in a highly distorted tetra-hedral geometry. In the crystal, the complex mol-ecules are linked by inter-molecular N-H⋯Br hydrogen bonds into chains along [101]. An intra-molecular N-H⋯Br hydrogen bond is also present.

| S-EPMC3246924 | biostudies-literature

catena-Poly[[copper(II)-bis[?-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide]] bis(perchlorate)].

Project description:In the title compound, {[Cu(C(10)H(14)N(4)Se)(2)](ClO(4))(2)}(n), the Cu(II) ion is located on a twofold rotation axis and has a tetra-gonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide (L) ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in inter-molecular N-H?O hydrogen bonding, which links the chains into layers parallel to the bc plane.

| S-EPMC2971148 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II).

Project description:In the title compound, [PdCl(2)(C(5)H(8)N(2))(C(12)H(12)N(2)O)], the Pd atom adopts a slightly distorted trans-PdCl(2)N(2) square-planar arrangement. The different Pd-N bond lengths can be related to the the electron-withdrawing effect of the o-toluoyl group on the substituted pyrazole ligand. The complex crystallizes as centrosymmetric hydrogen-bonded dimers through N-H?Cl linkages.

| S-EPMC2915136 | biostudies-literature

3,5-Dimethyl-4-nitroso-1H-pyrazole.

Project description:In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H?O and N-H?N hydrogen bonds into zigzag-like chains along the b axis.

| S-EPMC3200577 | 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