Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-azido-?(4)N(1):N(1')-bis-({1-[(E)-phen-yl(pyridin-2-yl-?N)methyl-idene]thio-semi-carbazidato-?(2)N(1),S}copper(II)).

ABSTRACT: In the title compound, [Cu(2)(C(13)H(11)N(4)S)(2)(N(3))(2)], the Cu(II) cation is N,N',S-chelated by the deprotonated Schiff base ligand and is coordinated by the azide anion, while an N atom from an adjacent azide anion bridges the Cu(II) cation at the apical position with a longer Cu-N distance of 2.533?(3)?Å, completing the distorted N(4)S square-pyramidal coordination geometry. A pair of azide anions bridge the two Cu(II) cations, forming a centrosymmetric binuclear mol-ecule. In the crystal, the binuclear mol-ecules are linked by an N-H?N hydrogen bond into a ribbon running along the a axis.

SUBMITTER: Kunnath RJ

PROVIDER: S-EPMC3435612 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-μ-azido-κ(4)N(1):N(1')-bis-({1-[(E)-phen-yl(pyridin-2-yl-κN)methyl-idene]thio-semi-carbazidato-κ(2)N(1),S}copper(II)).

Kunnath Roji J RJ Prathapachandra Kurup M R MR Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

In the title compound, [Cu(2)(C(13)H(11)N(4)S)(2)(N(3))(2)], the Cu(II) cation is N,N',S-chelated by the deprotonated Schiff base ligand and is coordinated by the azide anion, while an N atom from an adjacent azide anion bridges the Cu(II) cation at the apical position with a longer Cu-N distance of 2.533 (3) Å, completing the distorted N(4)S square-pyramidal coordination geometry. A pair of azide anions bridge the two Cu(II) cations, forming a centrosymmetric binuclear mol-ecule. In the crystal ...[more]

PMID: 22969485

Similar Datasets

Di-?-bromido-bis-{[N,N-dimethyl-N'-(thio-phen-2-yl-methyl-idene)ethane-1,2-diamine]-copper(I)]}.

Project description:In the crystal structure of the title compound, [Cu(2)Br(2)(C(9)H(14)N(2)S)(2)], the mol-ecule resides about a crystallographic inversion center. The coordination sphere around each copper ion has a distorted tetra-hedral geometry, with ligation by two bridging bromide ions, an amine N atom and an imine N atom. The thio-phene ring is disordered over two sites, with occupancies of 0.719?(3) and 0.281?(3). Weak C-H?? inter-actions feature in the crystal packing.

| S-EPMC3344410 | biostudies-literature

(1-{(E)-[Phen-yl(pyridin-2-yl-?N)methyl-idene]amino-?N}pyrrolidin-2-one-?O)bis-(thio-cyanato-?N)copper(II).

Project description:The Cu(II) atom in the title compound, [Cu(NCS)(2)(C(16)H(15)N(3)O)], is bonded to the N atoms of two thio-cyanate ions, and is N,N'-chelated by the Schiff base ligand. The four N atoms surround the metal atom to form a distorted square; the square environment is distorted towards a square pyramid by a long Cu?O inter-action. In the crystal, two C atoms of the pyrrolidin-2-one ring are disordered over two positions in a 1:1 ratio.

| S-EPMC3470172 | biostudies-literature

Methyl 3-(pyridin-4-yl-methyl-idene)di-thio-carbazate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title mol-ecule, C8H9N3S2, both of which exhibit an E conformation with the pyridine ring and di-thio-carbazate fragment located on opposite sides of the C=N bond. The pyridine ring and di-thio-carbazate group are approximately coplanar, with dihedral angles of 4.74?(1) and 8.77?(1)° between their planes in the two mol-ecules. In the crystal, mol-ecules are linked to each other via N-H?N hydrogen bonds, forming zigzag chains parallel to [10-1].

| S-EPMC3648245 | biostudies-literature

Crystal structures of bis-[2-(di-phenyl-phosphino-thio-yl)phen-yl] ether and bis-{2-[diphen-yl(selanyl-idene)phosphan-yl]phen-yl} ether.

Project description:The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular ?-? inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214?(16) and 3.8027?(14)?Å in (1) and (2), respectively. In the crystal of (1), short C-H?S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H?Se inter-actions present.

| S-EPMC4257402 | biostudies-literature

Di-?-acetato-?(4)O:O-bis-({N'-[(E)-phen-yl-(pyridin-2-yl-?N)methyl-idene]benzo-hydrazidato-?(2)N',O}copper(II)).

Project description:The binuclear molecule of the title compound, [Cu(2)(C(19)H(14)N(3)O)(2)(CH(3)COO)(2)], resides on a crystallographic inversion centre. It has an E conformation with respect to the azomethine double bond and a Z conformation about the amide C=N bond. The Cu(II) atom has a slightly distorted square-pyramidal coordination geometry. The crystal packing involves inter-molecular C-H?O, C-H?N and C-H?? and two types of ?-? inter-actions, with centroid-centroid distances of 3.9958?(10) and 3.7016?(13)?Å.

| S-EPMC3414141 | biostudies-literature

Di-?-chlorido-bis-(chlorido-{N'-[phen-yl(pyridin-2-yl-?N)methyl-idene]pyridine-2-carbohydrazide-?(2) N',O}cadmium).

Project description:The title compound, [Cd2Cl4(C18H14N4O)2], was obtained from the reaction of Cd(NO3)2·4H2O with 2-phenyl-pyridine-keton picolinoyl hydrazone and sodium chloride. Each Cd(2+) cation is coordinated by two N atoms and one O atom of the tridentate ligand and three chloride anions, forming a distorted CdNOCl3 octahedron. Each pair of adjacent metal cations is linked by two bridging chloride ligands, resulting in a dinuclear complex unit. The mol-ecular conformation is stabilized by intra-molecular N-H?N and C-H?O hydrogen bonds. In the crystal, mol-ecules are linked by nonclassical C-H?O and C-H?Cl hydrogen bonds into a three-dimensional network. In addition, ?-? stacking inter-actions [centroid-centroid distances = 3.777?(2) and 3.631?(2)?Å] contribute to the stabilization of the crystal packing.

| S-EPMC4051065 | biostudies-literature

{N,N'-Bis[1-(pyridin-2-yl)ethyl-idene]-propane-1,3-diamine}-(thio-cyanato-?N)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(NCS)(C(17)H(20)N(4))]BF(4), the Cu(II) ion is five-coordinated by the four N atoms of the tetra-dentate Schiff base ligand and one N atom of a thio-cyanate ligand, thereby forming a square-pyramidal CuN(5) ccoordination geometry. The dihedral angle between the pyridine rings of the Schiff base is 55.58?(14)°. The F atoms of the tetra-fluoridoborate anion are disordered over two sets of sites with occupancies of 0.614?(3) and 0.386?(3). In the crystal, the components are linked by C-H?F inter-actions.

| S-EPMC3152035 | biostudies-literature

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H⋯O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A π-π inter-action [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H⋯O inter-actions also occur.

| S-EPMC3684881 | biostudies-literature

1,5-Bis[1-(4-bromo-phen-yl)ethyl-idene]thio-carbonohydrazide.

Project description:The asymmetric unit of the title compound, C17H16Br2N4S, contains two independent mol-ecules in which the benzene rings form dihedral angles of 20.0?(1) and 55.3?(1)°. In the crystal, a pair of N-H?S hydrogen bonds link the two different independent mol-ecules into a dimer.

| S-EPMC3648255 | biostudies-literature

catena-Poly[[(triphenyl-phosphane)copper(I)]-di-?-iodido-[(triphenyl-phosphane)copper(I)]-?-{1,2-bis-[1-(pyridin-4-yl)ethyl-idene]hydrazine}].

Project description:In the title coordination polymer, [Cu(2)I(2)(C(14)H(14)N(4))(C(18)H(15)P)(2)](n), the Cu(I) atom is coordinated by two I atoms, one P atom and one N atom in a fairly regular tetra-hedral arrangement. A crystallographic inversion centre generates a Cu(2)I(2) diamond with a Cu-Cu separation of 3.0120?(5)?Å. The complete N,N'-(1-pyridin-4-yl-ethethyl-idene)-hydrazine mol-ecule is also generated by inversion symmetry, and this bridging ligand leads to [011] polymeric chains in the crystal structure.

| S-EPMC3201507 | 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