Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{4,4'-Dimethyl-2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methanylyl-idene)]diphenolato}nickel(II) monohydrate.

ABSTRACT: In the title compound, [Ni(C(21)H(24)N(2)O(2))]·H(2)O, both the complex mol-ecule and the water mol-ecule lie on a twofold rotation axis. The Ni(II) ion is coordinated in a distorted square-planar geometry by the tetra-dentate ligand. The dihedral angle between the two symmetry-related benzene rings is 47.12?(8)°. In the crystal, pairs of symmetry-related O-H?O hydrogen bonds form R(2) (2)(6) ring motifs. In addition, there are weak inter-molecular C-H?O hydrogen bonds, and ?-? stacking inter-actions with a centroid-centroid distance of 3.4760?(8)?Å.

SUBMITTER: Kargar H

PROVIDER: S-EPMC3254342 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

{4,4'-Dimethyl-2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methanylyl-idene)]diphenolato}nickel(II) monohydrate.

Kargar Hadi H Kia Reza R Sharafi Zahra Z Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20111223 Pt 1

In the title compound, [Ni(C(21)H(24)N(2)O(2))]·H(2)O, both the complex mol-ecule and the water mol-ecule lie on a twofold rotation axis. The Ni(II) ion is coordinated in a distorted square-planar geometry by the tetra-dentate ligand. The dihedral angle between the two symmetry-related benzene rings is 47.12 (8)°. In the crystal, pairs of symmetry-related O-H⋯O hydrogen bonds form R(2) (2)(6) ring motifs. In addition, there are weak inter-molecular C-H⋯O hydrogen bonds, and π-π stacking inter-ac ...[more]

PMID: 22259376

Similar Datasets

{4,4'-Dimethyl-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(21)H(24)N(2)O(2))]·H(2)O, comprises half of a Schiff base complex and half of a water mol-ecule. The whole compound is generated by crystallographic twofold rotation symmetry. The geometry around the Cu(II) atom, located on a twofold axis, is distorted square-planar, which is supported by the N(2)O(2) donor atoms of the coordinating Schiff base ligand. The dihedral angle between the symmetry-related benzene rings is 47.5?(4)°. In the crystal, the water mol-ecule that is hydrogen bonded to the coordinated O atoms links the mol-ecules via O-H?O inter-actions into chains parallel to [001]. The crystal structure is further stabilized by C-H?? inter-actions, and by ?-? inter-actions involving inversion-related chelate rings [centroid-centroid distance = 3.480?(4)?Å].

| S-EPMC3435595 | biostudies-literature

{4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(21)H(24)N(2)O(4))]·H(2)O, comprises half of a Schiff base complex and a water mol-ecule. The Cu(II) atom, water mol-ecule and one C atom of the central propyl-ene segment are located on a twofold rotation axis. The geometry around the Cu(II) atom is distorted square-planar, supported by the N(2)O(2) donor atoms of the coordinating ligand. The dihedral angle between the symmetry-related benzene rings is 42.56?(19)°. In the crystal, O-H?O hydrogen bonds involving the water mol-ecule make an R(2) (1)(6) ring motif. Complex mol-ecules are linked into a chain along the c axis via C-H?O inter-actions.

| S-EPMC3470142 | biostudies-literature

{4,4',6,6'-Tetra-bromo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(19)H(16)Br(4)N(2)O(2))], comprises half of a Schiff base complex. The geometry around the Ni(II) atom, located on a twofold rotation axis, is distorted square-planar, which is supported by the N(2)O(2) donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 23.19 (17)°. In the crystal, a short inter-molecular Br⋯Br [3.6475 (7) Å] inter-action is present.

| S-EPMC3379092 | biostudies-literature

{4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II).

Project description:In the title Schiff base complex, [Cu(C(19)H(18)Cl(2)N(2)O(2))], the Cu(II) ion is coordinated in a distorted square-planar environment by two N atoms and two O atoms of the tetra-dentate ligand. The dihedral angle between the benzene rings is 36.86?(14)°. In the crystal, mol-ecules are linked into inversion dimers by pairs of weak C-H?O hydrogen bonds. In addition, ?-? [centroid-centroid distance = 3.7279?(16)?Å] and weak C-H?? inter-actions are observed.

| S-EPMC3414174 | biostudies-literature

{4,4',6,6'-Tetra-iodo-2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methanylyl-idene)]diphenolato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(19)H(16)I(4)N(2)O(2))], comprises half of a Schiff base complex. The Ni(II) atom is located on a twofold rotation axis which also bis-ects the central C atom of the 2,2-dimethyl-propane group of the ligand. The geometry around the Ni(II) atom is distorted square-planar, with a dihedral angle of 21.7?(3)° between the symmetry-related N/Ni/O coordination planes. The dihedral angle between the symmetry-related benzene rings is 27.9?(3)°. In the crystal, short inter-molecular I?I [3.8178?(9) and 3.9013?(10)?Å] inter-actions are present.

| S-EPMC3393197 | biostudies-literature

{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}dioxidomolyb-denum(VI).

Project description:The asymmetric unit of the title compound, [Mo(C(19)H(16)Cl(4)N(2)O(2))O(2)], comprises two independent mol-ecules (A and B). The geometry around the Mo(VI) atom is distorted octa-hedral in each complex mol-ecule, supported by two oxide O atoms and the N(2)O(2) donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96?(11)?Å for mol-ecule A and 76.05?(11)?Å for mol-ecule B. In the crystal, the B mol-ecules are linked by pairs of C-H?Cl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C-H?? inter-actions. An inter-esting feature of the crystal structure is a Cl?Cl contact [3.3748?(18)?Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50?Å).

| S-EPMC3470140 | biostudies-literature

{4,4',6,6'-Tetra-iodo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II).

Project description:In the title compound, [Cu(C(19)H(16)I(4)N(2)O(2))], the Cu(II) atom and the substituted C atom of the diamine segment lie on a crystallographic twofold rotation axis. The geometry around the Cu(II) atom is distorted square-planar, which is supported by the N(2)O(2) donor atoms of the coordinated Schiff base. The dihedral angle between the symmetry-related substituted benzene rings is 29.40 (19)°. In the crystal, a short I⋯I [3.8766 (6) Å] contact is present and links neighbouring mol-ecules into chains propagating along the a axis.

| S-EPMC3379091 | biostudies-literature

{4,4',6,6'-Tetra-chloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]}nickel(II).

Project description:In the title compound, [Ni(C(19)H(16)Cl(4)N(2)O(2))], the Ni(II) ion is in a distorted square-planar environment coordinated by two N atoms and two O atoms of the tetra-dentate ligand. The dihedral angle between the benzene rings is 24.8 (2)°. In the crystal, mol-ecules are linked into chains along the b axis by weak C-H⋯O and C-H⋯Cl inter-actions. An inter-molecular Cl⋯Cl [3.4564 (19) Å] inter-action is present which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).

| S-EPMC3274915 | biostudies-literature

4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:In the title compound, C(21)H(26)N(2)O(4), the dihedral angle between the substituted benzene rings is 30.47?(15) °. Two strong intra-molecular O-H?N hydrogen bonds generate two S(6) ring motifs.

| S-EPMC3052006 | biostudies-literature

{4,4'-Dibromo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato-?O,N,N',O'}nickel(II).

Project description:In the title compound, [Ni(C(19)H(18)Br(2)N(2)O(2))], the Ni(II) ion, lying on a twofold rotation axis, is coordinated by two N atoms and two O atoms from the Schiff base ligand in a distorted square-planar geometry. Weak inter-molecular C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3099811 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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