Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dichloridobis[4-(1H-pyrazol-3-yl)pyridine-?N]zinc.

ABSTRACT: In the title compound, [ZnCl(2)(C(8)H(7)N(3))(2)], the Zn(II) cation is coordinated by two Cl(-) anions and two 4-(1H-pyrazol-3-yl)pyridine ligands in a distorted tetra-hedral geometry. In the two 4-(1H-pyrazol-3-yl)pyridine ligands, the dihedral angles between the pyrazole and pyridine rings are 3.3?(3) and 13.3?(3)°. Inter-molecular N-H?N and N-H?Cl hydrogen bonding is present in the crystal structure.

SUBMITTER: Tan ZD

PROVIDER: S-EPMC3201423 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dichloridobis[4-(1H-pyrazol-3-yl)pyridine-κN]zinc.

Tan Zheng-De ZD Tan Feng-Jiao FJ Tan Bo B Zhang Cheng-Ming CM

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, [ZnCl(2)(C(8)H(7)N(3))(2)], the Zn(II) cation is coordinated by two Cl(-) anions and two 4-(1H-pyrazol-3-yl)pyridine ligands in a distorted tetra-hedral geometry. In the two 4-(1H-pyrazol-3-yl)pyridine ligands, the dihedral angles between the pyrazole and pyridine rings are 3.3 (3) and 13.3 (3)°. Inter-molecular N-H⋯N and N-H⋯Cl hydrogen bonding is present in the crystal structure. ...[more]

PMID: 22065794

Similar Datasets

Aqua-(4-nitro-phthalato)bis-[2-(1H-pyrazol-3-yl)pyridine]-zinc(II) hemihydrate.

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octa-hedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyrid-yl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitro-phthalate ligand and one associated water mol-ecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyrid-yl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03?(1) and 0.35?(1)?Å] and the dihedral angle between the two planar 3-(2-pyrid-yl)-1H-pyrazole ligands is 67.31?(4)°. Inter-molecular ?-? stacking inter-actions between 3-(2-pyrid-yl)-1H-pyrazole ligands with a face-to-face separation of 3.64?(1)?Å are observed. Moreover, the crystal structure is stabilized by O-H?O and N-H?O hydrogen bonds between the water of crystallization, the associated water mol-ecule and the 3-(2-pyrid-yl)-1H-pyrazole ligands.

| S-EPMC3050407 | biostudies-literature

2-[1-(9-Anthrylmeth-yl)-1H-pyrazol-3-yl]pyridine.

Project description:The title compound, C(23)H(17)N(3), can be used in coordination chemistry. The anthracene ring makes dihedral angles of 86.08?(5) and 76.63?(6)°, respectively, with the pyridine and pyrazole rings. The dihedral angle between the pyrazole and pyrimidine rings is 11.79?(7)°. In the structure, weak inter-molecular C-H?N hydrogen bonds are observed.

| S-EPMC2971033 | biostudies-literature

catena-Poly[[(acetato-?O)[4-(1H-pyrazol-3-yl)pyridine-?N]zinc]-?-acetato-?O:O'].

Project description:In the title compound, [Zn(CH(3)CO(2))(2)(C(8)H(7)N(3))](n), the Zn(II) atom is coordinated by one N atom from a 4-(1H-pyrazol-3-yl)pyridine ligand and three O atoms from two bridging and one terminal acetate ligands, forming a distorted tetra-hedral geometry. The bridging acetate ligands link the Zn atoms into a chain along [001]. N-H?O hydrogen bonds and ?-? inter-actions between the pyridine and pyrazole rings [centroid-centroid distance = 3.927?(3)?Å] connect the chains into a layer parallel to (011).

| S-EPMC3246942 | biostudies-literature

Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole-?N (3)}-zinc(II).

Project description:In the title complex, [ZnCl2(C10H9N5)2], the Zn(II) ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetra-hedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021?(3) and 0.030?(3)?Å, and form dihedral angles of 73.2?(2) and 83.5?(2)° with the triazole rings. In the crystal, N-H?N hydrogen bonds link complex mol-ecules into chains along [010]. In addition, weak C-H?Cl and C-H?N hydrogen bonds complete a three-dimensional network. Two weak intra-molecular C-H?Cl hydrogen bonds are also observed.

| S-EPMC3647793 | biostudies-literature

Crystal structure of 2,6-bis-[(1H-pyrazol-1-yl)meth-yl]pyridine.

Project description:In the title compound, C13H13N5, the planes of the pyrazolyl groups are nearly perpendicular to that of the central pyridine ring, making dihedral angles of 87.77?(8) and 85.73?(7)°. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into layers extending parallel to (10-1).

| S-EPMC4186076 | biostudies-literature

Crystal structure of 2-[bis(1H-pyrazol-1-yl)meth-yl]pyridine.

Project description:The title compound, C12H11N5, was synthesized as a potential tridentate ligand to make catalytic metal complexes. The dihedral angle between the pyrazolyl rings is 67.9 (1)°. The most prominent feature in the crystal packing are C-H⋯N hydrogen-bonding inter-actions that link the mol-ecules into a supra-molecular tape along the b-axis direction.

| S-EPMC4571400 | biostudies-literature

2,6-Bis(3-phenyl-1H-pyrazol-5-yl)pyridine monohydrate.

Project description:In the title compound, C(23)H(17)N(5)·H(2)O, the pyrazole rings are slightly twisted from the central pyridine ring, forming dihedral angles of 5.3 (2) and 3.5 (2)°. The pyrazole and phenyl rings on each side of the pyridine ring are also approximately coplanar, making dihedral angles of 6.0 (2) and 4.5 (2)°. In the crystal structure, 2,6-bis-(3-phenyl-1H-pyrazol-5-yl)pyridine and water mol-ecules are linked together via N-H⋯O and O-H⋯N hydrogen bonds, forming a column running parallel to the a axis.

| S-EPMC2961158 | biostudies-literature

2,6-Bis(1-isopropyl-5-phenyl-1H-pyrazol-3-yl)pyridine.

Project description:In the title compound, C(29)H(29)N(5), the central pyridine ring and the two pyrazole rings are approximately coplanar, the dihedral angles between the pyridine and pyrazole rings being 3.94 (12) and 14.84 (12)°. The pyrazole and phenyl rings on each side of the mol-ecule are twisted with dihedral angles of 46.72 (8) and 73.39 (8)°. One phenyl ring inter-acts with a pyrazole ring of a neighbouring mol-ecule via a weak inter-molecular C-H⋯π inter-action, which stabilizes the mol-ecular packing.

| S-EPMC2915287 | biostudies-literature

4-(1H-Pyrazol-3-yl)pyridine-terephthalic acid-water (2/1/2).

Project description:In the title compound, 2C(8)H(7)N(3)·C(8)H(6)O(4)·2H(2)O, the pyridine and pyrazole rings are approximately coplanar, the dihedral angle between them being 4.69?(9)°. The asymmetric unit consists of half of the terephthalic acid (an inversion centre generates the other half of the mol-ecule), one 4-(1H-pyrazol-3-yl)pyridine (4pp) mol-ecule and one water mol-ecule. In the crystal, two 4pp and one terephthalic acid mol-ecules form a linear three-molecule unit as a result of O-H?N hydrogen bonds. These units are further assembled into a three-dimensional network by two types of hydrogen bonds, viz. O-H?O and N-H?O.

| S-EPMC3379495 | biostudies-literature

2-[(3,5-Diphenyl-1H-pyrazol-1-yl)meth-yl]pyridine.

Project description:The title compound, C(21)H(17)N(3), crystallizes with the phenyl ring in the 3-position coplanar with the pyrazole ring within 4.04?(5)°, whereas the phenyl ring in the 5-position forms a dihedral angle of 50.22?(3)° with the pyrazole ring. There is no ambiguity regarding the position of pyridine N atom, which could have exhibited disorder between the ortho positions of the ring.

| S-EPMC3344127 | 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