Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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).

ABSTRACT: 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].

SUBMITTER: Zhao K

PROVIDER: S-EPMC2914961 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

[3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato](pyridine-2,6-dicarboxyl-ato)nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(11)H(9)ClN(3)O(2))(C(7)H(3)NO(4))]·2H(2)O, the Ni(II) atom is coordinated by two N atoms and one O atom of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate and by one N atom and two O atoms of pyridine-2,6-dicarboxyl-ate in a distorted octa-hedral coordination. In the crystal structure, mol-ecules are linked together by inter-molecular O-H⋯O hydrogen bonds. One water mol-ecule is disordered over two positions; the site occupancies are ca 0.53 and 0.47.

| S-EPMC2915123 | biostudies-literature

[6-(3,5-Dimethyl-1H-pyrazol-1-yl)picolinato](pyridine-2,6-dicarboxyl-ato)copper(II) dihydrate.

Project description:In the title complex, [Cu(C(7)H(4)NO(4))(C(11)H(10)N(3)O(2))]·2H(2)O, the Cu(II) atom is in a distorted octa-hedral geometry. The equatorial plane is formed by two N atoms and one O atom from 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate and by one N atom from pyridine-2,6-dicarboxyl-ate (pdc). Two pdc O atoms occupy the axial positions. Water mol-ecules are hydrogen bonded to the complex mol-ecules, forming a two-dimensional sheet structure.

| S-EPMC2961460 | biostudies-literature

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

Project description: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.

| S-EPMC2960373 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-?N)picolinato-?N,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-?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

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

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

3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid-triphenyl-phosphine oxide (1/1).

Project description:In the title 1:1 adduct, C(11)H(10)ClN(3)O(2)·C(18)H(15)OP, the dihedral angle between the pyridine and pyrazole rings is 10.3 (2)°. The two components of the adduct are linked by an O-H⋯O hydrogen bond.

| S-EPMC2962060 | 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