Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}palladium(II) ethanol hemisolvate.

ABSTRACT: The asymmetric unit of the title complex, [Pd(C(19)H(20)N(2)O(2))]·0.5C(2)H(5)OH, contains two mol-ecules of a Pd(II) complex of a Schiff base ligand with an N(2)O(2) donor set and one ethanol mol-ecule. The Pd(II) centers are in distorted square-planar geometries with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianions. The ethanol mol-ecule takes part in an O-H?O hydrogen bond. In the crystal structure, mol-ecules are stacked approximately along the b-axis direction. The O atom and three H atoms of the solvent molecule are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.

SUBMITTER: Wan Nazihah Wan Ibrahim

PROVIDER: S-EPMC2961822 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}palladium(II) ethanol hemisolvate.

Wan Nazihah Wan Ibrahim Shamsuddin Mustaffa M Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The asymmetric unit of the title complex, [Pd(C(19)H(20)N(2)O(2))]·0.5C(2)H(5)OH, contains two mol-ecules of a Pd(II) complex of a Schiff base ligand with an N(2)O(2) donor set and one ethanol mol-ecule. The Pd(II) centers are in distorted square-planar geometries with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianions. The ethanol mol-ecule takes part in an O-H⋯O hydrogen bond. In the crystal structure, mol-ecules are stacked approximately along the b-axis direction. The O atom ...[more]

PMID: 21202771

Similar Datasets

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)-bis-(nitrilo-methyl-idyne)]-diphenolato}-dioxidomolybdenum(VI).

Project description:In the structure of the title compound, [Mo(C(19)H(20)N(2)O(2))O(2)], the Mo atom exhibits oxidation state +VI and is surrounded by two O atoms and the tetra-dentate Schiff base ligand 2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate in a distorted octa-hedral configuration. An intra-molecular C-H⋯O hydrogen bond between a methyl-ene group and one O atom of the O=Mo(VI)=O unit, as well as additional inter-molecular hydrogen bonds between neighboring mol-ecules, lead to a weakly bonded inversion-symmetric dimeric structure.

| S-EPMC2961957 | biostudies-literature

{4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:In the title complex, [Ni(C(21)H(24)N(2)O(4))], the Ni(II) ion has a slightly distorted square-planar geometry, coordinated by the two N and two O atoms of a new tetra-dentate Schiff base ligand. The dihedral angle between the planes of the two NiNC(3)O chelate rings is 14.37?(12)°.

| S-EPMC2969458 | biostudies-literature

{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II) monohydrate.

Project description:In the title complex, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, the Cu(II) ion has a distorted planar geometry, coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand. The asymmetric unit comprises one complex mol-ecule and a water mol-ecule of crystallization. The water H atoms form bifurcated O-H?(O,O) inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two O-Cu-N coordination planes is 31.02?(6)° and the dihedral angle between the two benzene rings is 34.98?(7)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H?O inter-actions, forming extended chains along the a axis. The crystal structure is further stabilized by inter-molecular C-H?? and ?-? [centroid-centroid = 3.5068?(13)?Å] inter-actions.

| S-EPMC2977574 | biostudies-literature

{6,6'-Dieth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II) monohydrate.

Project description:In the title complex, [Ni(C(23)H(28)N(2)O(4))]·H(2)O, the Ni(II) ion is coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand in a slightly distorted planar geometry. The asymmetric unit of the title compound comprises one complex mol-ecule and a water mol-ecule of crystallization. The H atoms of the water mol-ecule make bifurcated inter-molecular hydrogen bonds with the O atoms of the phenolate and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs, which may, in part, influence the mol-ecular configuration. The dihedral angle between the two benzene rings is 31.43 (5)°. The crystal structure is further stabilized by inter-molecular C-H⋯O and C-H⋯π inter-actions, which link neighbouring mol-ecules into one-dimensional extended chains along the a axis. An inter-esting feature of the crystal structure is the short inter-molecular C⋯C [3.3044 (14) Å] contact which is shorter than the sum of the van der Waals radii.

| S-EPMC2968910 | biostudies-literature

{6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II) 1.78-hydrate.

Project description:In the title complex, [Ni(C(21)H(24)N(2)O(4))]·1.78H(2)O, the Ni(II) ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetra-dentate Schiff base ligand, with a mean deviation of 0.272?Å from the NiN(2)O(2) plane. The N and O donor atoms are mutually cis. The dihedral angle between two benzene rings of the ligand is 38.86?(8)°. There are also three solvent water mol-ecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570?(7). The water mol-ecules are linked together as tetra-mers in R(2) (2)(8) ring motifs, which also connect two neighbouring mol-ecules of the complex through a network of O-H?O hydrogen bonds. The crystal structure is further stabilized by inter-molecular C-H?O and C-H?? inter-actions, which link neighbouring mol-ecules into extended chains along the b axis. Other inter-esting features of the crystal structure are the short inter-molecular C?C [3.204?(3)-3.365?(3)?Å] and the C?O [3.199?(2)-3.205?(2)?Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.

| S-EPMC2977614 | biostudies-literature

Di-?-hydroxido-bis-({2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}iron(III)) dimethyl-formamide disolvate.

Project description:The structure of the title compound, [Fe(2)(C(17)H(16)N(2)O(2))(2)(OH)(2)]·2C(3)H(7)N, consists of centrosymmetric dimeric units in which crystallographically equivalent Fe(III) ions are doubly bridged by hydroxide groups. Each Fe(III) center in the complex has a six-coordinated distorted cis-FeN(2)O(4) octa-hedral geometry.

| S-EPMC2968628 | biostudies-literature

{4,4'-Dibromo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}copper(II).

Project description:In the title compound, [Cu(C(19)H(18)Br(2)N(2)O(2))], the Cu(II) ion is in a tetra-hedrally distorted planar geometry, involving two N and two O atoms from the tetra-dentate Schiff base ligand. Inter-molecular C-H⋯O hydrogen bonds form an eight-membered R(2) (2)(8) motif. The dihedral angle betwen two benzene rings is 36.34 (9)°. There are inter-molecular Cu⋯Br [3.4566 (5) Å] and Cu⋯·N [3.569 (3) Å] contacts, which are significantly shorter than the sum of van der Waals radii of the relevant atoms. These inter-actions, along with the inter-molecular C-H⋯π and π-π [centroid-centroid distances of 3.709 (1) and 3.968 (2) Å] inter-actions, link neighbouring mol-ecules into a one-dimensional infinite chain along the c axis.

| S-EPMC2959884 | biostudies-literature

4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

| S-EPMC2967979 | biostudies-literature

{4,4'-Dibromo-2,2'-[propane-1,3-diyl-bis(nitrilo-methyl-idyne)]diphenolato}zinc(II).

Project description:The title mononuclear zinc(II) complex, [Zn(C(17)H(14)Br(2)N(2)O(2))], possesses a crystallographically imposed C(2) axis. The Zn atom is four-coordinated by two O and two N atoms from two Schiff base ligands, forming a severely distorted square-planar geometry. The central C atom of the propyl group is disordered over two positions about the twofold axis.

| S-EPMC2961367 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

| S-EPMC2967940 | 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