Browse
Submit Data
Databases
API
Help

Dataset Information

5 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[Bis(quinolin-2-ylcarbon-yl)amido-?(3) N,N',N'']bromido-(N,N-di-methyl-formamide-?O)copper(II).

ABSTRACT: In the mononuclear title complex, [CuBr(C20H12N3O2)(C3H7NO)], synthesized from the quinoline-derived reduced Schiff base 4-(quinolin-2-ylmeth-yl)amino-phenol, the coordination geometry around Cu(2+) is distorted square-pyramidal, comprising a bromide anion at the apex [Cu-Br = 2.4671?(5)?Å]. The base of the pyramid is built up from one di-methyl-formamide O-atom donor [Cu-O = 2.078?(2)?Å] and three N-atom donors from the monoanionic, tridentate bis-(quinolin-2-ylcarbon-yl)di-imide ligand [Cu-Ndi-imide = 1.941?(3)?Å, and Cu-Nquinol-yl = 2.060?(3) and 2.049?(3)?Å]. An intra-molecular C-H?O occurs. In the crystal, weak methyl and aromatic C-H?Br and formyl C-H?Ocarbon-yl hydrogen-bonding inter-actions generate an overall layered structure lying parallel to (001).

SUBMITTER: Faizi MS

PROVIDER: S-EPMC4051018 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[Bis(quinolin-2-ylcarbon-yl)amido-κ(3) N,N',N'']bromido-(N,N-di-methyl-formamide-κO)copper(II).

Faizi Md Serajul Haque MS Sen Pratik P

Acta crystallographica. Section E, Structure reports online 20140510 Pt 6

In the mononuclear title complex, [CuBr(C20H12N3O2)(C3H7NO)], synthesized from the quinoline-derived reduced Schiff base 4-(quinolin-2-ylmeth-yl)amino-phenol, the coordination geometry around Cu(2+) is distorted square-pyramidal, comprising a bromide anion at the apex [Cu-Br = 2.4671 (5) Å]. The base of the pyramid is built up from one di-methyl-formamide O-atom donor [Cu-O = 2.078 (2) Å] and three N-atom donors from the monoanionic, tridentate bis-(quinolin-2-ylcarbon-yl)di-imide ligand [Cu-Ndi ...[more]

PMID: 24940197

Similar Datasets

Crystal structure of di-bromido-(N,N-di-methyl-formamide-?O){2-(1H-indol-3-yl)-N-[(quinolin-2-yl-?N)methyl-idene]ethanamine-?N}cadmium.

Project description:In the mononuclear title complex, [CdBr2(C20H17N3)(C3H7NO)], synthesized from the quinoline-derived Schiff base 2-(1H-indol-3-yl)-N-(quinolin-2-yl-methyl-ene)ethan-amine (IQME), the coordination geometry around the Cd(2+) atom is distorted trigonal bipyramidal, the axial positions being occupied by the quinoline N atom [Cd-N = 2.401?(3)?Å] and one di-methyl-formamide O-atom donor [Cd-O = 2.399?(2)?Å]. The equatorial plane is formed by the imine N atom [Cd-N = 2.293?(3)?Å] and two bromides [Cd-Br = 2.5621?(8) and 2.5676?(8)?Å], with the deviation of the Cd(II) atom from the equatorial plane being 0.046?(1)?Å. An intra-molecular C-H?Br inter-action occurs. In the crystal, N-H?Br inter-actions generate [101] chains.

| S-EPMC4384581 | biostudies-literature

Di-?-bromido-bis-({bis-[2-(2-pyrid-yl)eth-yl]amine}copper(II)) bis-(perchlorate).

Project description:Each Cu atom in the dinuclear centrosymmetric title complex, [Cu(2)Br(2)(C(14)H(17)N(3))(2)](ClO(4))(2), is ligated in a distorted square-pyramidal geometry (? = 0.31) by a tridentate bis-[2-(2-pyrid-yl)eth-yl]amine ligand, and by two bridging Br atoms. In addition, the dinuclear species is stabilized by two hydrogen-bonded perchlorate anions.

| S-EPMC2960247 | biostudies-literature

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

Di-?-bromido-bis-[bromido(di-2-pyridylmethane-diol-?N,N')copper(II)] dihydrate.

Project description:The centrosymmetric title complex, [Cu(2)Br(4)(C(11)H(10)N(2)O(2))(2)]·2H(2)O, was one of three complexes isolated by slow evaporation of an acetonitrile reaction mixture of CuBr(2) with di-2-pyridyl ketone (1:1 molar ratio). The title complex contains a 1:1 metal-to-ligand ratio of copper(II) with the hydrated form of the ligand di-2-pyridylmethane-diol. The copper centers are bridged by bromide donors, leading to a Cu-Cu distance of 4.090?(6)?Å. The crystals form as non-merohedral twins with two components related by a 180° rotation around the normal to [100]; the selected sample had a twin ratio of 0.63:0.37.

| S-EPMC2960647 | biostudies-literature

Bis{?-2-[bis-(pyridin-2-yl)methyl-idene]hydrazinecarbothio-amidato}bis-[bromido-copper(II)] methanol disolvate.

Project description:In the centrosymmetric binuclear title compound, [Cu(2)Br(2)(C(12)H(10)N(5)S)(2)]·2CH(3)OH, the Cu(II) ion adopts a slightly dis-torted square-pyramidal coordination geometry. The hydrazine carbothio-amide moiety and one of the pyridyl rings together adopt an almost planar arrangement, with a maximum deviation of 0.052?(4)?Å for the C atom of the thio-urea moiety. There are two mol-ecules of methanol solvent per complex in the asymmetric unit. The nonconventional intra-molecular C-H?Br hydrogen bonds make the mol-ecule more rigid, whereas the conventional N-H?N and O-H?Br inter-molecular hydrogen-bonding inter-actions, supported with N-H?? inter-actions, establish a supra-molecular linkage among the mol-ecules in the crystal. An intermolecular C-H?O inter-action is also present.

| S-EPMC3297285 | biostudies-literature

Bis[(4-bromo-benzoyl-meth-yl)triphenyl-phospho-nium] di-?-bromido-bis-[di-bromido-mercurate(IV)].

Project description:Colourless needle-shaped crystals of the title compound, (C(26)H(21)BrOP)(2)[Hg(2)Br(6)], have been prepared by addition of a solution of HgBr(2) in methanol to a solution of (4-bromo-benzoyl-meth-yl)triphenyl-phospho-rane in dry methanol. The compound features Hg(2)Br(6) (2-) dianions, whose site symmetry is .

| S-EPMC2961466 | biostudies-literature

Crystal structures of di-?-bromido-bis{di-bromido-[?5-2-(di-methyl-amino)-inden-yl]zirconium(IV)} and di-bromido-bis-[?5-2-(di-methyl-amino)-inden-yl]zirconium(IV).

Project description:In the title compounds, [Zr2Br6(C11H12N)2], (I) and [ZrBr2(C11H12N)2], (II), the positions of the ?5-binding 2-di-methyl-amino-indenyl units are fixed by intra-molecular C-H?Br inter-actions involving aromatic or di-methyl-amino H atoms. The binuclear mol-ecule of (I) is located on a general position, while the mononuclear mol-ecule of (II) is situated on a twofold rotation axis. Both ZrIV atoms in (I) are ligated by one cyclo-penta-dienyl (CP) ring and four Br ligands (two bridging, two terminal), while in (II) the ZrIV atom is ligated by two CP rings and two terminal Br ligands. The crystal structures of both (I) and (II) comprise of strands of ?-?- and N-?-bonded mol-ecules, which in turn are linked by C-H?Br inter-actions.

| S-EPMC5095842 | biostudies-other

{2,2-Bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis-(N,N-di-methyl-formamide)copper(II) bis-(hexa-fluoridoantimonate).

Project description:In the title compound, [Cu(C(17)H(30)N(2)O(2))(C(3)H(7)NO)(2)][SbF(6)](2), which is a potential catalyst in the asymmetric Gosteli-Claisen rearrangement, the Cu atom adopts a distorted cis-CuN(2)O(2) square-planar geometry arising from N,N'-bidentate coordin-ation by the chiral ligand and two O-bonded dimethyl-formamide mol-ecules. Two short C-H?O contacts occur within the ligand and two weak inter-molecular C-H?F bonds may help to establish the packing.

| S-EPMC2969361 | biostudies-literature

Di-?-bromido-bis-[benz-yl(diethyl ether)magnesium].

Project description:The title benzyl Grignard reagent, [Mg(2)Br(2)(C(7)H(7))(2)(C(4)H(10)O)(2)], was obtained by reaction of benzyl bromide with magnesium in diethyl ether, followed by crystallization from toluene. The asymmetric unit comprises one half-mol-ecule, the structural dimeric unit being generated by inversion symmetry with an Mg?Mg distance of 3.469?(2)?Å. The Mg(II) atom exhibits a distorted tetrahedral coordination geometry. The crystal packing is defined by van der Waals inter-actions only.

| S-EPMC3393201 | biostudies-literature

Crystal structure of poly[[[μ4-5-(9H-carbazol-9-yl)isophthalato][μ3-5-(9H-carbazol-9-yl)isophthalato]bis-(di-methyl-formamide)(methanol)dizinc] di-methyl-formamide monosolvate].

Project description:The structure of the polymeric title compound, {[Zn2(C20H11NO4)2(C3H7NO)2(CH3OH)]·C3H7NO} n , comprises carbazolylisophthalate moieties connecting dimetallic tetra-carboxyl-ate zinc secondary building units (SBUs) parallel to [100] and [010], leading to a layer-like arrangement parallel to (001). Each SBU consists of two Zn atoms in slightly distorted tetra-hedral and octa-hedral coordination environments [Zn⋯Zn = 3.5953 (6) Å]. Three carboxyl-ate groups bridge the two Zn atoms in a μ2-O:O' mode, whereas the fourth coordinates through a single carboxyl-ate O atom (μ1-O). The O atoms of two di-methyl-formamide (DMF) and one methanol mol-ecule complete the Zn coordination spheres. The methanol ligand inter-acts with the noncoordinating DMF mol-ecule via an O-H⋯O hydrogen bond of medium strength. Carbazoles between the layers inter-digitate through weak C-H⋯.π inter-actions to form a laminar solid stacked along [010]. Two kinds of C-H⋯π inter-actions are present, both with a distance of 2.64 Å, between the H atoms and the centroids, and a third C-H⋯π inter-action, where the aromatic H atom is located above the carbazole N-atom lone pair (H⋯N = 2.89 Å). Several C-H⋯O inter-actions occur between the coordinating DMF mol-ecule, the DMF solvent mol-ecule, and ligating carboxyl-ate O atoms.

| S-EPMC4571380 | biostudies-literature

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