Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))ethanamine-?N]palladium(II) dichloro-methane monosolvate.

ABSTRACT: In the title compound, [PdCl(2)(C(7)H(13)N(3))]·CH(2)Cl(2), the 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethanamine ligand chelates the Pd(II) atom via two N atoms forming a six-membered ring resulting in a distorted square-planar metal coordination environment, highlighted by N-Pd-Cl angles of 172.63?(8) and 174.98?(9)°. In addition to N-H?Cl hydrogen bonds creating infinite chains along [001], several C-H?Cl inter-actions are observed in the crystal structure.

SUBMITTER: Obuah C

PROVIDER: S-EPMC3414152 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))ethanamine-κN]palladium(II) dichloro-methane monosolvate.

Obuah Collins C Darkwa James J Muller Alfred A

Acta crystallographica. Section E, Structure reports online 20120721 Pt 8

In the title compound, [PdCl(2)(C(7)H(13)N(3))]·CH(2)Cl(2), the 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethanamine ligand chelates the Pd(II) atom via two N atoms forming a six-membered ring resulting in a distorted square-planar metal coordination environment, highlighted by N-Pd-Cl angles of 172.63 (8) and 174.98 (9)°. In addition to N-H⋯Cl hydrogen bonds creating infinite chains along [001], several C-H⋯Cl inter-actions are observed in the crystal structure. ...[more]

PMID: 22904759

Similar Datasets

Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN)ethanamine-κN]zinc(II).

Project description:The amine title complex, [ZnCl(2)(C(7)H(13)N(3))], resulted from imine hydrolysis in a Schiff base compound. The Zn metal atom has a distorted tetra-hedral geometry with the most significant deviation identified in the magnitude of the N-Zn-N angle. This deviation stems from the participation of the Zn and N atoms in a six-membered metallocyclic ring. The latter is in an approximate screw-boat conformation. Two strong N-H⋯Cl hydrogen bonds link the mol-ecules into ribbons propagating along the b-axis direction. The ribbons contain two second-order hydrogen-bonded motifs: a chain and a ring. The chain described by the graph set notation C(2) (2)(6) is formed by one hydrogen bond going in the forward direction (donor to acceptor) and the other in the backward direction (acceptor to donor). In the ring motif R(2) (2)(8), both hydrogen bonds propagate in the forward direction.

| S-EPMC3253618 | 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

(4-tert-Butyl-pyridine)-chlorido[hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borato]nitro-sylmolybdenum(I) dichloro-methane monosolvate.

Project description:In the title compound, [Mo(C(15)H(22)BN(6))Cl(NO)(C(9)H(13)N)]·CH(2)Cl(2), the Mo(I) atom adopts a distorted MoClN(5) octa-hedral geometry with the hydro-tris-(3,5-dimethyl-pyrazol-yl)borate anion in an N,N',N''-tridentate tripodal (facial) coordination mode. A 4-tert-butyl-pyrine ligand, chloride anion and a nitrosyl cation complement the coodination of the Mo(I) atom and an intra-molecular C-H?Cl hydrogen bond helps to stabilize the configuration of the complex mol-ecule. The packing is stabilized by an inter-molecular C-H?Cl hydrogen bond involving the complex mol-ecule and the CH(2)Cl(2) solvent mol-ecule.

| S-EPMC3011577 | biostudies-literature

cis-Dichlorido-tetra-kis-(dimethyl sulfoxide-κO)chromium(III) chloride dimethyl sulfoxide monosolvate.

Project description:The structure of the title compound, [CrCl2(C2H6OS)4]Cl·C2H6OS, consists of a Cr(III) ion coordinated by four O atoms of dimethyl sulfoxide (DMSO) ligands and two chloride ions in cis positions, forming a distorted CrCl2O4 octa-hedron. An isolated Cl(-) counter-anion and a positionally disordered DMSO mol-ecule [occupancy ratio 0.654 (4):0.346 (4)] are also present. In the structure, the complex cations inter-act with the Cl(-) counter-anions and the DMSO solvent mol-ecules via weak C-H⋯Cl and C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3772426 | biostudies-literature

rac-cis,cis-Dicarbonyl-dichlorido{1-[2-(diphenyl-phosphan-yl)benz-yl]-3-mesityl-imidazol-2-yl-idene}ruthenium(II) dichloro-methane monosolvate.

Project description:The Ru(II) atom in the title compound, [RuCl(2)(C(31)H(29)N(2)P)(CO)(2)]·CH(2)Cl(2), exhibits a distorted octahedral coordination environment. The bond angles of the cis substituents at the Ru(II) atom range from 82.72 (9) to 97.20 (3)°. This mol-ecule is of inter-est in the field of catalytic transfer hydrogenation.

| S-EPMC3414164 | biostudies-literature

Redetermination of (2,2'-bipyridine-?N,N')dichlorido-palladium(II) dichloro-methane solvate.

Project description:In the title compound, [PdCl(2)(C(10)H(8)N(2))]·CH(2)Cl(2), the Pd(2+) ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2'-bipyridine (bipy) ligand and two chloride ions. The compound displays intra-molecular C-H?Cl hydrogen bonds and pairs of complex mol-ecules are connected by inter-molecular C-H?Cl hydrogen bonds. Inter-molecular ?-? inter-actions are present between the pyridine rings of the ligand, the shortest centroid-centroid distance being 4.096?(3)?Å. As a result of the electronic nature of the chelate ring, it is possible to create ?-? inter-actions to its symmetry-related counterpart [3.720?(2)?Å] and also with a pyridine ring [3.570?(3)?Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicente et al. (1997 ?). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.

| S-EPMC2969654 | biostudies-literature

(Di-2-pyridyl-amine-κN,N')[hydro-tris-(3,5-diphenyl-pyrazol-1-yl-κN)borato]nickel(II) bromide dichloro-methane monosolvate.

Project description:In the title compound, [Ni(C(45)H(34)BN(6))(C(10)H(9)N(3))]Br·CH(2)Cl(2), the Ni(II) atom is five-coordinated by the tridentate hydro-tris-(3,5-diphenyl-pyrazol-yl)borate ligand and a bidentate di-2-pyridyl-amine ligand in a distorted square-pyramidal geometry. In the crystal, inter-molecular N-H⋯Br and C-H⋯Br hydrogen bonds link the Ni complex cations and the Br(-) ions, forming a chain along the c axis.

| S-EPMC3099946 | biostudies-literature

cis,fac-Dichlorido{N-[3,5-di-tert-butyl-2-(trimethyl-silyl-oxy)benz-yl]-N,N-bis-(2-pyridylmeth-yl)amine}(dimethyl sulfoxide)ruthenium(II) dichloro-methane disolvate.

Project description:Reaction of dichloridotetra-kis(dimethyl sulfoxide)ruthenium(II) and N-[3,5-di-tert-butyl-2-(trimethyl-silyl-oxy)benz-yl]-N,N-bis-(2-pyridylmeth-yl)amine (BPPA-TMS) affords the thermodynamic product cis,fac-[RuCl(2)(BPPA-TMS)(DMSO)] and kinetic product trans,mer-[RuCl(2)(BPPA-TMS)(DMSO)]. The title complex, [RuCl(2)(C(30)H(43)N(3)OSi)(C(2)H(6)OS)]·2CH(2)Cl(2), crystallizes as a dichloro-methane disolvate, with two formula units in the asymmetric unit. The complex exhibits a distorted-octa-hedral geometry about the low spin d(6) Ru(II) center. The BPPA-TMS ligand is coordinated in a facial fashion, with the DMSO ligand cis to the aliphatic nitro-gen atom of the BPPA-TMS ligand. One of the two dichloromethane solvate molecules is disordered over two positions in a 0.695:0.305 ratio.

| S-EPMC2971178 | biostudies-literature

Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))quinoline-?N]zinc.

Project description:The Zn(II) atom in the title compound, [ZnCl(2)(C(14)H(13)N(3))], is coordinated by a Cl(2)N(2) donor set defined by quinoline and pyrazole N atoms of the chelating ligand and two Cl atoms. Distortions from the ideal tetra-hedral geometry relate to the restricted bite angle of the chelating ligand [N-Zn-N = 78.54?(12)°]. In the crystal, mol-ecules are connected into a three-dimensional structure by C-H?Cl inter-actions, involving both Cl atoms, and ?-? inter-actions that occur between the pyrazole ring and each of the pyridine and benzene rings of the quinoline residue [inter-centroid distances = 3.655?(2) and 3.676?(2)?Å].

| S-EPMC3344321 | biostudies-literature

?-(2,2'-Bipyrimidine)-bis-[dichlorido-palladium(II)] dimethyl-formamide monosolvate.

Project description:In the title compound, [Pd(2)Cl(4)(C(8)H(6)N(4))]·C(3)H(7)NO, the two Pd(2+) cations have a distorted square-planar coordination sphere and are bridged by a bis-bidentate 2,2'-bipyrimidine ligand. Two terminal chloride anions are also bonded to each of the Pd(2+) cations. The dinuclear complex and the dimethylformamide solvate molecule lie on the inter-section of a twofold rotation axis and a mirror plane, with disorder present in the solvate mol-ecule. There is a slight distortion from the square-planar metal geometry, as indicated by the bite angles of 81.77?(13)° and 91.63?(5)°. The C and O atoms of the solvent mol-ecule are disordered over two sets of sites of equal occupancy.

| S-EPMC3515126 | 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