Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-?O,N]copper(II).

ABSTRACT: In the title complex, [Cu(C(12)H(12)N(3)O)(2)], the Cu(II) ion is tetra-coordinated by two N atoms and two O atoms from two bis-chelating 4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in a square-planar geometry. The two N atoms and two O atoms around the Cu(II) atom are trans to each other, as the Cu(II) atom lies on an inversion centre. The six-membered ring composed of the Cu, an O, an N and three C atoms of the ligand and the pyrazole ring is nearly planar, the largest deviation being 0.037?(4)?Å for an N atom. In the crystal, weak inter-molecular C-H?N hydrogen-bonding inter-actions link the mol-ecules into chains along the c axis.

SUBMITTER: Zhu H

PROVIDER: S-EPMC3200712 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-κO,N]copper(II).

Zhu Hualing H Wang Zhan Z Wei Zhen Z Bai Yanan Y Xv Xiaoping X

Acta crystallographica. Section E, Structure reports online 20110806 Pt 9

In the title complex, [Cu(C(12)H(12)N(3)O)(2)], the Cu(II) ion is tetra-coordinated by two N atoms and two O atoms from two bis-chelating 4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in a square-planar geometry. The two N atoms and two O atoms around the Cu(II) atom are trans to each other, as the Cu(II) atom lies on an inversion centre. The six-membered ring composed of the Cu, an O, an N and three C atoms of the ligand and the pyrazole ring is nearly planar, the largest devi ...[more]

PMID: 22058848

Similar Datasets

Bis(?-phenyl-methano-lato)bis-({4-[(E)-(4-tert-butyl-phen-yl)(2-pyrid-ylmethyl-imino)meth-yl]-3-methyl-1-phenyl-1H-pyrazol-5-olato}zinc(II)).

Project description:In the title centrosymmetric dimeric Zn(II) complex, [Zn(2)(C(27)H(27)N(4)O)(2)(C(7)H(7)O)(2)], the Zn(II) center is coordinated by two N atoms and one O atom of the ketiminate ligand and two bridging O atoms of the benzyl-alkoxy groups. The geometry around the Zn(II) ions is distorted trigonal-bipyramidal.

| S-EPMC2977319 | biostudies-literature

(3-{[2,6-Bis(1-methyl-eth-yl)phen-yl]imino-?N}-1-phenyl-but-1-en-1-olato-?O)-di-methyl-aluminium.

Project description:The mol-ecular structure of the title compound, [Al(CH(3))(2)(C(22)H(26)NO)], displays a monomer with the Al(III) atom in a distorted tetra-hedral environment defined by two methyl groups and the N and O atoms of the chelating ketiminate anion. The O-Al-N bite angle of the chelating ligand is 94.14?(9)°. The O-C-C-C-N backbone of the ligand is nearly coplanar (r.m.s. deviation = 0.029?Å) and the Al atom deviates significantly from the mean plane by 0.525?(3)?Å. In the crystal, weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3343778 | biostudies-literature

2,6-Bis[1-(2-methyl-phenyl-imino)eth-yl]pyridine.

Project description:The mol-ecule of the title compound, C(23)H(23)N(3), which was synthesized by the condensation reaction between 2,6-diacetyl-pyridine and 2-dimethyl-aniline, adopts an E configuration about both C=N imine bonds. The dihedral angles formed by the benzene rings with the pyridine ring are 89.68?(5) and 53.62?(6)°.

| S-EPMC2969280 | biostudies-literature

2,6-Bis[1-(2,4,6-tri-methyl-phenyl-imino)-eth-yl]pyridine.

Project description:In the title mol-ecule, C27H31N3, the imine C=N groups are orientated anti to the pyridine N atom, with N-C-C-N torsion angles of -164.91 (11) and -170.53 (10)°. In the crystal, mol-ecules are connected by weak C-H⋯N and C-H⋯π inter-actions parallel to the b axis.

| S-EPMC4029218 | biostudies-literature

Bis[4-(4-chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-κO,O']bis-(methanol-κO)nickel(II).

Project description:The mol-ecular structure of the neutral mononuclear title complex, [Ni(C(17)H(12)ClN(2)O(2))(2)(CH(3)OH)(2)], is centrosymmetric. The Ni(II) atom, which is located on an inversion center, is in a distorted octahedral coordination, defined by four O atoms from two ligands as well as two O atoms from two methanol mol-ecules. Inter-molecular O-H⋯N hydrogen bonds between the hy-droxy group of methanol and a pyrazole N atom link the mol-ecules, forming a two-dimensional network parallel to (100).

| S-EPMC3008993 | biostudies-literature

Crystal structure of bis-{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino-methyl-?N]-1H-pyrazol-5-olato-?O}zinc methanol 2.5-solvate from synchrotron X-ray diffraction.

Project description:The title compound, [Zn(C20H15N4O)2]·2.5CH3OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH3OH. The crystal structure is triclinic (space group P-1), with two complex mol-ecules ( A and B ) and five methanol solvent mol-ecules in the asymmetric unit. One of the five methanol solvent mol-ecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Mol-ecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)imino-meth-yl]-1H-pyrazol-5-olate ligands. In both mol-ecules, the zinc cations have distorted tetra-hedral coordination spheres, binding the monoanionic ligands through the pyrazolo-late O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazolo-late moiety. The mol-ecular geometries of A and B are supported by intra-molecular C-H?O and C-H?N hydrogen bonds. In the crystal of I, mol-ecules form dimers both by secondary inter-molecular Zn?O [3.140?(2)-3.553?(3)?Å] and ?-? stacking inter-actions. The dimers are linked by inter-molecular hydrogen bonds through the solvent methanol mol-ecules into a three-dimensional network.

| S-EPMC5598850 | biostudies-literature

4-[(Ethoxy-imino)(phen-yl)meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the mol-ecule of the title compound, C(19)H(19)N(3)O(2), the central pyrazole ring makes dihedral angles of 9.89?(3) and 66.06?(5)° with the two phenyl rings, and the two phenyl rings form an angle of 74.05?(5)°. An intra-molecular C-H?O hydrogen bond forms a six-membered ring, producing an S(6) ring motif. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link each mol-ecule to two others, forming an infinite one-dimensional supra-molecular structure along the c axis.

| S-EPMC2960692 | biostudies-literature

Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-?(2)O,O')bis-(ethanol-?O)cobalt(II).

Project description:The title compound, [Co(C(17)H(13)N(2)O(2))(2)(C(2)H(5)OH)(2)], is a Co(II) complex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olate (BMPP) ligands and two coordinating ethanol mol-ecules. In the asymmetric unit, there are two half mol-ecules, with the Co(II) atoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757?(7):0.243?(7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hy-droxy group of each ethanol mol-ecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C-H?O and C-H?N inter-actions link the mol-ecules into a three-dimensional structure.

| S-EPMC3414155 | biostudies-literature

1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene.

Project description:The title compound, C(24)H(24)N(2), is an enanti-omerically pure bis-aldimine, which displays twofold crystallographic symmetry, with two C atoms of the central benzene ring lying on the symmetry axis. The imine group is slightly twisted from the benzene core, with a dihedral angle of 12.72 (16)° between the benzene ring and the C=N-C(*) plane. The terminal phenyl rings make an angle of 66.44 (4)° and are oriented in opposite directions with respect to the benzene ring. In the crystal, mol-ecules inter-act weakly through a C-H⋯π inter-action involving the phenyl rings, and form chains along the 2(1) screw-axis in the [100] direction.

| S-EPMC3151960 | biostudies-literature

Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-?O,O')bis-(N,N-dimethyl-formamide-?O)nickel(II).

Project description:The title complex, [Ni(C(12)H(11)N(2)O(2))(2)(C(3)H(7)NO)(2)], lies on on an inversion center. The Ni(II) ion is coordinated in a slightly distorted octa-hedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethyl-formamide ligands in the axial sites. In the crystal structure, weak inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.7467?(13)?Å link mol-ecules into chains extending alongthe b axis.

| S-EPMC3007279 | 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