Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato-?N,O]cadmium(II) 1.75-hydrate.

ABSTRACT: In the title complex, [Cd(C(11)H(10)N(3)O(2))(2)]·1.75H(2)O, the Cd atom is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands in a distorted cis-N(4)O(2) octa-hedral geometry. Three water mol-ecules, with occupancies of 1.0, 0.5 and 0.25, complete the asymmetric unit. The components of the crystal structure are linked via hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Kai Z

PROVIDER: S-EPMC2960373 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato-κN,O]cadmium(II) 1.75-hydrate.

Kai Zhao Z Yin Xian-Hong XH Yu Feng F Zhu Jie J Lin Cui-Wu CW

Acta crystallographica. Section E, Structure reports online 20080130 Pt 2

In the title complex, [Cd(C(11)H(10)N(3)O(2))(2)]·1.75H(2)O, the Cd atom is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands in a distorted cis-N(4)O(2) octa-hedral geometry. Three water mol-ecules, with occupancies of 1.0, 0.5 and 0.25, complete the asymmetric unit. The components of the crystal structure are linked via hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21201375

Similar Datasets

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-κN)picolinato-κN,O]manganese(II) bis-(3,5-dinitro-benzoic acid) solvate.

Project description:In the title complex, [Mn(C(11)H(10)N(3)O(2))(2)]·2C(7)H(4)N(2)O(6), the Mn(II) atom has a disorted octa-hedral coordination formed by four N and two O atoms of two mer-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands (DMPP). Each of the two symmetry-independent 3,5-dinitro-benzoic acid mol-ecules is linked to the mol-ecule of the complex via a hydrogen bond involving its carboxylic H atom and one of the DMPP ligands of the complex. However, in one of the DMPP ligands, the non-coordinated carbonyl O atom serves as the hydrogen-bond acceptor, whereas in the second ligand it is the Mn-coordinated O atom which is involved in the hydrogen bonding.

| S-EPMC2961712 | biostudies-literature

Bis[3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II) tetra-hydrate.

Project description:In the title complex, [Ni(C(11)H(9)ClN(3)O(2))(2)]·4H(2)O, the Ni atom is coordinated by four N atoms and two O atoms derived from two tridentate 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands. The cis-N(4)O(2) donor set defines a distorted octa-hedral geometry. In the crystal structure, the complex and water mol-ecules are linked by O-H⋯O hydrogen bonds.

| S-EPMC2914946 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]manganese(II) trihydrate.

Project description:In the title complex, [Mn(C(11)H(10)N(3)O(2))(2)]·3H(2)O, the Mn(II) atom is coordinated by four N atoms and two O atoms in a distorted octa-hedral geometry. The mol-ecules are linked together via hydrogen bonds involving the water molecules. One of these is disordered equally over two positions.

| S-EPMC2914962 | biostudies-literature

Bis[3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato-?O,N,N']copper(II) tetra-hydrate.

Project description:In the title complex, [Cu(C(11)H(9)ClN(3)O(2))(2)]·4H(2)O, the Cu(II) atom is in a distorted octa-hedral coordination environment, coordinated by four N atoms and two O atoms from two tridentate 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands. The mol-ecules are linked via inter-molecular O-H?O hydrogen bonds involving water mol-ecules to form extended chains along [010], and there are short Cl?Cl contacts [3.153?(4)?Å].

| S-EPMC2960233 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

| S-EPMC2970966 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)-aqua-[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid]dithio-cyanato-nickel(II) (1/1).

Project description:In the title cocrystal, [Ni(C(11)H(10)N(3)O(2))(2)]·[Ni(NCS)(2)(C(11)H(11)N(3)O(2))(H(2)O)], both Ni(II) ions are in disorted octa-hedral coordination environments. One Ni(II) ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate (DPP) ligands, while the other Ni(II) ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-yl))picolinic acid (DPPH) ligand and by two N atoms and one O atom from two thio-cyanate and one water ligand, respectively. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O and O-H⋯S hydrogen bonds, forming extended chains along [010].

| S-EPMC2914961 | biostudies-literature

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N'](methanol-κO)(nitrito-κO,O')cadmium(II) perchlorate.

Project description:In the title complex, [Cd(NO(2))(C(22)H(20)N(6))(CH(3)OH)]ClO(4), the Cd(II) ion is in a distorted penta-gonal-bipyramidal CdN(4)O(3) coordination geometry. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline ring system are 4.37 (19) and 5.84 (21)°. In the crystal, the anions and cations are connected by inter-molecular O-H⋯O hydrogen bonding, while pairs of weak inter-molecular C-H⋯O hydrogen bonds connect the cations into centrosymmetric dimers. In addition, there is a π-π stacking inter-action involving two symmetry-related benzene rings, with a centroid-centroid distance of 3.437 (3) Å.

| S-EPMC3051935 | biostudies-literature

Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

Project description:In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°. π-π stacking inter-actions are observed between the closest pyrazole rings of neighboring chains [centroid-centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O-H⋯Cl hydrogen bonds are formed.

| S-EPMC3393332 | biostudies-literature

Dichloridobis(3,5-dimethyl-1H-pyrazol-4-amine-κN)cobalt(II).

Project description:In the title compound, [CoCl(2)(C(5)H(9)N(3))(2)], the Co(II) atom adopts a slightly distorted tetra-hedral coordination geometry provided by two chloride anions and two N atoms from the organic ligands. The dihedral angle between the pyrazole rings is 85.91 (10)°. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H⋯N and N-H⋯Cl hydrogen-bonding inter-actions.

| S-EPMC2961935 | biostudies-literature

Tris[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]gadolinium(III) methanol hemisolvate 2.5-hydrate.

Project description:In the title complex, [Gd(C(11)H(10)N(3)O(2))(3)]·0.5CH(4)O·2.5H(2)O, the Gd atom is coordinated by six N atoms and three O atoms derived from three tridentate monoanionic 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands. The mol-ecules are linked together via hydrogen bonds involving the solvent water and methanol mol-ecules.

| S-EPMC2960314 | biostudies-other

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