Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Kargar H

PROVIDER: S-EPMC3470140 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Kargar Hadi H Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

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 ...[more]

PMID: 23125584

Similar Datasets

{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-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'-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⋯π inter-actions, and by π-π inter-actions involving inversion-related chelate rings [centroid-centroid distance = 3.480 (4) Å].

| S-EPMC3435595 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, [Ni(C(17)H(12)I(4)N(2)O(2))], comprises half of a Schiff base complex. The Ni(II) and central C atom of the propyl chain are located on a twofold rotation axis. The geometry around the Ni(II) atom is square planar, supported by the N(2)O(2) donor atoms of the coordinated ligand. In the crystal, there are no significant inter-molecular inter-actions present. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.944?(1):0.056?(1).

| S-EPMC3414144 | 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)]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-chloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(17)H(14)Cl(4)N(2)O(2), is generated by crystallographic twofold symmetry. The two benzene rings are inclined to one another by 80.17?(10)°. There are two intra-molecular O-H?N hydrogen bonds, which make S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O and weak C-H?Cl inter-actions, forming a three-dimensional network.

| S-EPMC3414188 | 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

Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molyb-denum(VI).

Project description:The asymmetric unit of the title compound, [Mo(C(19)H(16)Br(4)N(2)O(2))O(2)], comprises two mol-ecules. The coordination environments around the Mo(VI) atoms are distorted octa-hedral, defined by two oxide ligands and an N(2)O(2) donor set of the tetra-dentate Schiff base in each mol-ecule. The dihedral angles between the benzene rings in the mol-ecules are 76.2?(3) and 77.7?(3)°. An inter-esting feature of the crystal structure is the presence of Br?Br contacts [3.4407?(11), 3.5430?(11) and 3.6492?(10)?Å], which are shorter than the sum of the van der Waals radius of Br atoms (3.70?Å). The crystal structure is further stabilized by inter-molcular C-H?Br and C-H?? inter-actions. The crystal under investigation was twinned by nonmerohedry in a 0.053?(1):0.947?(1) ratio.

| S-EPMC3470169 | 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