Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{5,5'-Dimeth-oxy-2,2'-[1,1'-(2,2-dimethyl-propane-1,3-diyldinitrilo)-diethyl-idyne]diphenolato-?O,N,N',O'}copper(II) monohydrate.

ABSTRACT: The tetra-dentate dianion in the title complex hydrate, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, provides the Cu(II) atom with a cis-N(2)O(2) donor set. There is a significant twist from a regular square-planar geometry with the dihedral angle formed between the two six-membered CuOC(3)N chelate rings being 32.14?(8)°. The water mol-ecule forms hydrogen bonds to each of the coordinating O atoms of a given complex mol-ecule. Supra-molecular layers in the bc plane are formed in the crystal packing through C-H?O and C-H?? inter-actions.

SUBMITTER: Ghaemi A

PROVIDER: S-EPMC3201301 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

{5,5'-Dimeth-oxy-2,2'-[1,1'-(2,2-dimethyl-propane-1,3-diyldinitrilo)-diethyl-idyne]diphenolato-κO,N,N',O'}copper(II) monohydrate.

Ghaemi Akbar A Rayati Saeed S Elahi Ehsan E Ng Seik Weng SW Tiekink Edward R T ER

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

The tetra-dentate dianion in the title complex hydrate, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, provides the Cu(II) atom with a cis-N(2)O(2) donor set. There is a significant twist from a regular square-planar geometry with the dihedral angle formed between the two six-membered CuOC(3)N chelate rings being 32.14 (8)°. The water mol-ecule forms hydrogen bonds to each of the coordinating O atoms of a given complex mol-ecule. Supra-molecular layers in the bc plane are formed in the crystal packing through ...[more]

PMID: 22058715

Similar Datasets

4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethyl-idyne]diphenol.

Project description:The title Schiff base compound, C(23)H(30)N(2)O(2), has crystallographic twofold rotation symmetry. An intra-molecular O-H?N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The imino group is coplanar with the benzene ring. The two benzene rings are almost perpendicular to each other, making a dihedral angle of 87.38?(4)°. In the crystal structure, neighbouring mol-ecules are linked along the c axis by weak inter-molecular C-H?O hydrogen bonds and are further packed into columns along the b axis, forming sheets which are parallel to the bc plane.

| S-EPMC2960569 | biostudies-literature

{4,4'-Dimeth-oxy-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}nickel(II) hemihydrate.

Project description:In the title complex, [Ni(C(20)H(22)N(2)O(4))]·0.5H(2)O, the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and half a water solvent mol-ecule. The solvent water mol-ecule lies on a crystallographic twofold rotation axis. An inter-molecular O-H⋯O hydrogen bond forms an R(2) (1)(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex. In the crystal structure, mol-ecules are linked by π-π stacking inter-actions, with centroid-centroid distances in the range 3.5310 (11)-3.7905 (12) Å, forming extended chains along the b axis. In addition, there are Ni⋯Ni and Ni⋯N inter-actions [3.4404 (4)-4.1588 (4) and 3.383 (2)-3.756 (2) Å, respectively] which are shorter than the sum of the van der Waals radii of the relevant atoms. Further stabilization of the crystal structure is attained by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2961936 | biostudies-literature

2,2'-[(E,E)-1,1'-(2,2-Dimethyl-propane-1,3-diyldinitrilo)diethyl-idyne]diphenol.

Project description:The title Schiff base, C(21)H(26)N(2)O(2), contains two intra-molecular O-H?N hydrogen bonds between the hydroxyl groups and the nearest imine N atoms, each leading to a six-membered ring. Weak C-H?O hydrogen bonds result in a ladder network running along the a axis. In addition, inter-molecular C-H?? inter-actions serve to stabilize the extended structure.

| S-EPMC2969254 | biostudies-literature

{4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}nickel(II)-methanol-chloro-form (1/1/1).

Project description:In the title compound, [Ni(C(22)H(26)N(2)O(2))]·CH(3)OH·CHCl(3), the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and one mol-ecule each of chloro-form and methanol. The methanol mol-ecule is hydrogen bonded to the phenolate O atoms. In the crystal structure, short inter-molecular distances between the centroids of six-membered chelate rings [3.7002?(9)?Å] indicate the presence of ?-? inter-actions, which link the mol-ecules into stacks along the a axis. In addition, there are Ni?Ni distances which are shorter than the sum of the van der Waals radii of two Ni atoms. The crystal structure is further stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds, and weak inter-molecular C-H?? inter-actions linking mol-ecules into extended one-dimensional chains along the c axis.

| S-EPMC2960584 | biostudies-literature

Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}bis-[(benzoato-κO)manganese(III)] dihydrate.

Project description:The title compound, [Mn(2)(C(18)H(18)N(2)O(2))(2)(C(7)H(5)O(2))(2)]·2H(2)O, was synthesized by the reaction between manganese(II) benzoate and the Schiff base generated in situ by the condensation of ethane-1,2-diamine and o-hydroxy-aceto-phen-one. The Jahn-Teller-distorted manganese(III) ions of the centrosymmetric dimer are connected through phen-oxy bridges. Hydrogen-bonding inter-actions between the uncoord-in-ated C=O of the benzoate and uncoordinated water mol-ecules link the dimers into a chain running parallel to the c axis.

| S-EPMC2915092 | biostudies-literature

{2,2'-[1,1'-(Ethane-1,2-diyldinitrilo)-diethyl-idyne]diphenolato}bis-(pyrrolidine)cobalt(III) perchlorate p-xylene hemisolvate.

Project description:In the mononuclear title complex, [Co(C(18)H(18)N(2)O(2))(C(4)H(9)N)(2)]ClO(4)·0.5C(8)H(10), the Co(III) ion has a slightly distorted octa-hedral coordination geometry. In the Me-salen ligand, the benzene rings are almost parallel, making a dihedral angle of 0.48 (13)°, but the torsion angle along the central C-C bond is 41.1 (2)°·The pyrrolidine rings are in slightly distorted chair conformations. The N atoms of the pyrrolidine axial ligands are involved in N-H⋯O hydrogen bonds with the perchlorate anions, and these hydrogen bonds connect the ionic species into infinite chains along the b axis. Some relatively short C-H⋯π inter-actions are also present in the crystal structure and C-H⋯O inter-actions occur. The guest solvent p-xylene mol-ecule lies on a special position at the inversion centre.

| S-EPMC3011456 | biostudies-literature

Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato-κO,N,N',O':O}bis-[chloridomanganese(III)].

Project description:The title compound, [Mn(2)(C(18)H(18)N(2)O(2))(2)Cl(2)], was synthesized by the reaction between manganese(II) o-chloro-benzoate and the Schiff base generated in situ by the condensation of ethane-1,2-diamine and o-hydroxy-acetophenone. The centrosymmetric dimer contains two Jahn-Teller-distorted mangan-ese(III) ions, each in an octa-hedral geometry, connected through two phen-oxy bridges from two ligands.

| S-EPMC2960426 | biostudies-literature

2,2'-[1,1'-(Propane-1,3-diyldioxy-dinitrilo)diethyl-idyne]diphenol.

Project description:The title compound, C(19)H(22)N(2)O(4), was synthesized by the reaction of 2'-hydroxy-acetophenone with 1,3-bis-(amino-oxy)propane in ethanol. Intra-molecular O-H?N and weak C-H?O hydrogen bonds stabilize the three-dimensional structure. A twofold rotation axis passes through the molecule.

| S-EPMC2961531 | biostudies-literature

5,5'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The asymmetric unit of the title Schiff base compound, C(21)H(26)N(2)O(4), consists of four crystallographically independent mol-ecules, viz. A, B, C and D. The A and D, and the B and C mol-ecules are related by a pseudo-inversion centre, and the remaining pairs of mol-ecules differ in the orientations of one of the meth-oxy groups. In each independent mol-ecule, intra-molecular O-H⋯N hydrogen bonds generate two S(6) ring motifs. The dihedral angles between the benzene rings in mol-ecules A, B, C and D are 65.86 (19), 50.41 (19), 68.59 (19) and 50.85 (19)°, respectively. In the crystal structure, mol-ecules are linked by C-H⋯O hydrogen bonds, forming R(2) (2)(8) dimers. In addition, weak C-H⋯π inter-actions are observed.

| S-EPMC2959808 | biostudies-literature

2,2'-[1,1'-(Propane-1,3-diyldioxy-dinitrilo)diethyl-idyne]di-1-naphthol.

Project description:The mol-ecule of the title compound, C(27)H(26)N(2)O(4), lies across a crystallographic inversion centre and adopts an l-shaped configuration. Within the mol-ecule, the two naphthalene units are approximately perpendicular, making a dihedral angle of 80.24?(5)°. The two intramolecular O-H?N hydrogen bonds, generate S(6) ring motifs. In the crystal structure, every mol-ecule links five other mol-ecules into an infinite cross-linked layered supra-molecular structure via inter-molecular C-H?O hydrogen bonds, C-H?? inter-actions and ?-? stacking inter-actions [centroid-centroid distance = 3.956?(4)?Å].

| S-EPMC2969260 | 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