Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of [tris-(pyridin-2-ylmeth-yl)amine-?(4) N]copper(II) bromide.

ABSTRACT: In the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-yl-methyl groups over two sets of sites with refined occupancies of 0.672?(8) and 0.328?(8). The outer-sphere bromine counter-ion is severely disordered over multiple sites. In each cation, the Cu(II) ion is coordinated by the four N atoms of the tris-(pyridin-2-ylmeth-yl)amine ligand and one bromine and adopts a slightly distorted trigonal-bipyramidal geometry.

SUBMITTER: Bridgman EC

PROVIDER: S-EPMC4908570 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of [tris-(pyridin-2-ylmeth-yl)amine-κ(4) N]copper(II) bromide.

Bridgman Emma C EC Doherty Megan M MM Ellis Kaleigh A KA Homer Elizabeth A EA Lashbrook Taylor N TN Mraz Margaret E ME Pernesky Gina C GC Vreeke Emma M EM Oshin Kayode D KD Oliver Allen G AG

Acta crystallographica. Section E, Crystallographic communications 20160510 Pt 6

In the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-yl-methyl groups over two sets of sites with refined occupancies of 0.672 (8) and 0.328 (8). The outer-sphere bromine counter-ion is severely disordered over multiple sites. In each cation, the Cu(II) ion is coordinated by the four N atoms of the tris-(pyridin-2-ylmeth-yl)amine ligand and one bromine and adopt ...[more]

PMID: 27308046

Similar Datasets

Crystal structure of a seven-coordinate manganese(II) complex with tris-(pyridin-2-ylmeth-yl)amine (TMPA).

Project description:Structural analysis of (acetato-?2O,O')(methanol-?O)[tris-(pyridin-2-ylmeth-yl)amine-?4N,N',N'',N''']manganese(II) tetraphenyl-borate, [Mn(C2H3O2)(C18H18N4)(CH3OH)](C24H20B) or [Mn(TMPA)(Ac)(CH3OH)]BPh4 [TMPA = tris-(pyridin-2-ylmeth-yl)amine, Ac = acetate, BPh4 = tetra-phenyl-borate] by single-crystal X-ray diffraction reveals a complex cation with tetra-dentate coordination of the tripodal TMPA ligand, bidentate coordination of the Ac ligand and monodentate coordination of the methanol ligand to a single MnII center, balanced in charge by the presence of a tetra-phenyl-borate anion. The MnII complex has a distorted penta-gonal-bipyramidal geometry, in which the central amine nitro-gen and two pyridyl N atoms of the TMPA ligand, and two oxygen atoms of the acetate ligand occupy positions in the penta-gonal plane, while the third pyridyl nitro-gen of TMPA and the oxygen from the methanol ligand occupy the axial positions. Within the complex, the acetate O atoms participate in weak C-H?O hydrogen-bonding inter-actions with neighboring pyridyl moieties. In the crystal, complexes form dimers by pairs of O-H?O hydrogen bonds between the coordinated methanol of one complex and an acetate oxygen of the other, and weak ?-stacking inter-actions between pyridine rings. Separate dimers then undergo additional ?-stacking inter-actions between the pyridine rings of one moiety and either the pyridine or phenyl rings of another moiety that further stabilize the crystal.

| S-EPMC6073006 | biostudies-literature

Crystal structure of (E)-(benzyl-idene)(pyridin-2-ylmeth-yl)amine.

Project description:In the title mol-ecule, C13H12N2, all non-H atoms, except for those of the pyridine ring, are essentially coplanar, with an r.m.s. deviation of 0.025?Å. The mean plane of these atoms forms a dihedral angle of 80.98?(4)° with the pyridine ring. In the crystal, weak C-H?? inter-actions link the mol-ecules, forming a three-dimensional network.

| S-EPMC4719968 | biostudies-literature

N-(Pyridin-2-ylmeth-yl)pyridin-2-amine.

Project description:The title compound, C(11)H(11)N(3), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The geometries of both mol-ecules are very similar, with the exception of the torsion angles of the inter-ring chains; the values for C-N-C-C are 67.4?(5) and -69.3?(5)° for mol-ecules A and B, respectively. The dihedral angles between the pyridyl ring planes are 84.0?(2) and 83.2?(2)° for mol-ecules A and B, respectively. In the crystal, weak inter-molecular N-H?N hydrogen bonds and C-H?? inter-actions contribute to the stabilization of the packing.

| S-EPMC3120475 | biostudies-literature

(Salicylato)[tris-(1-methyl-1H-benz-imidazol-2-ylmeth-yl)amine]copper(II) perchlorate dimethyl-formamide disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·2C(3)H(7)NO, the Cu(II) ion is five-coordinated by four N atoms from the tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine ligand and an O atom of the monodentate salicylate ligand. The N(4)O donor set defines a coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal. The crystal structure is stabilized by O-H⋯O inter-actions. The atoms of the aromatic ring of the salicylate ligand are disordered over two sites of equal occupancy. In addition, one of the dimethyl-formamide solvent mol-ecules is partially disordered over two positions, of approximately equal occupancy.

| S-EPMC2914911 | biostudies-literature

Crystal structure and characterization of a new copper(II) chloride dimer with meth-yl(pyridin-2-yl-methyl-idene)amine.

Project description:The new copper(II) complex, namely, di-?-chlorido-bis-{chlorido-[meth-yl(pyri-din-2-yl-methyl-idene)amine-?2 N,N']copper(II)}, [Cu2Cl4(C7H8N2)2], (I), with the ligand 2-pyridyl-methyl-N-methyl-imine (L, a product of Schiff base condensation between methyl-amine and 2-pyridine-carbaldehyde) is built of discrete centrosymmetric dimers. The coordination about the CuII ion can be described as distorted square pyramidal. The base of the pyramid consists of two nitro-gen atoms from the bidentate chelate L [Cu-N = 2.0241?(9), 2.0374?(8)?Å] and two chlorine atoms [Cu-Cl = 2.2500?(3), 2.2835?(3)?Å]. The apical position is occupied by another Cl atom with the apical bond being significantly elongated at 2.6112?(3)?Å. The trans angles of the base are 155.16?(3) and 173.79?(2)°. The Cu?Cu separation in the dimer is 3.4346?(3)?Å. In the crystal structure, the loosely packed dimers are arranged in stacks propagating along the a axis. The X-band polycrystalline 77?K EPR spectrum of (I) demonstrates a typical axial pattern characteristic of mononuclear CuII complexes. Compound (I) is redox active and shows a cyclic voltammetric response with E 1/2 = -0.037?V versus silver-silver chloride electrode (SSCE) assignable to the reduction peak of CuII/CuI in methanol as solvent.

| S-EPMC7274002 | biostudies-literature

Crystal structure of tris-[4-(naphthalen-1-yl)phen-yl]amine.

Project description:In the title mol-ecule, C48H33N, the central N atom shows no pyramidalization, so that the N atom and the three C atoms bound to the N atom lie almost in the same plane. The three para-phenyl-ene rings bonded to the N atom are in a propeller form. All of the naphthalene ring systems are slightly bent. In the crystal, mol-ecules form an inversion dimer, through two pairs of C-H⋯π inter-actions, which further inter-acts with the adjacent dimer via another two pairs of C-H⋯π inter-actions, forming a column structure along the a axis. There are no significant inter-actions between these column structures.

| S-EPMC7534244 | biostudies-literature

Bis-(thio-cyanato-?N)[tris(pyridin-2-yl-meth-yl)amine-?(4) N]-iron(II).

Project description:In the title complex, [Fe(NCS)2(C18H18N4)], the Fe(II) cation is chelated by a tris-(2-pyridyl-meth-yl)amine ligand and coordin-ated by two thio-cyanate anions in a distorted N6 octa-hedral geometry. In the crystal, weak C-H?S hydrogen bonds and ?-? stacking inter-actions between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.653?(3)?Å] link the mol-ecules into a two-dimensional supra-molecular architecture. The structure contains voids of 124?(9)?Å(3), which are free of solvent molecules.

| S-EPMC3998248 | biostudies-literature

Salicylato[tris-(N-methyl-benzimidazol-2-ylmeth-yl)amine]zinc(II) perchlorate dimethyl-formamide sesquisolvate.

Project description:In the title complex, [Zn(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·1.5C(3)H(7)NO, the Zn(II) atom is five-coordinated by four N atoms from a tris-(N-methyl-benzimidazol-2-ylmeth-yl)amine ligand and one O atom from a salicylate ligand in a distorted trigonal-bipyramidal geometry (? parameter = 0.84), with approximate mol-ecular C(3) symmetry. One dimethyl-formamide mol-ecule lies on a general position and is disordered over two coplanar orientations with equal occupancy. A second dimethyl-formamide mol-ecule is disordered about a twofold rotation axis.

| S-EPMC2915077 | biostudies-literature

Crystal structure of {(but-3-en-1-yl)bis-[(pyridin-2-yl)meth-yl]amine-?(3) N,N',N''}di-chlorido-copper(II) diethyl ether hemisolvate.

Project description:The five-coordinate Cu(II) atom in the title complex [CuCl2(C16H19N3)]·0.5C4H10O, adopts a near-ideal square-pyramidal geometry (?-5 = 0.01). The apical Cu-Cl distance is 0.2626?(6)?Å longer than the basal Cu-Cl distance. Weak C-H?Cl interactions between pyridine rings and the Cl atoms of adjacent complex molecules are present. The solvent molecule, located on a twofold rotation axis, is situated in the voids of this arrangement. Copper atoms coordinated by tridentate nitro-gen-containing ligands have been found to be excellent promoters of Atom Transfer Radical Addition (ATRA) reactions.

| S-EPMC4350743 | biostudies-literature

Crystal structure of fac-tri-chlorido-[tris-(pyridin-2-yl-N)amine]-chromium(III).

Project description:In the neutral complex mol-ecule of the title compound, fac-[CrCl3(tpa)] [tpa is tris-(pyridin-2-yl)amine; C15H12N4], the Cr(III) ion is bonded to three N atoms that are constrained to a facial arrangement by the tpa ligand and by three chloride ligands, leading to a distorted octa-hedral coordination sphere. The average Cr-N and Cr-Cl bond lengths are 2.086?(5) and 2.296?(4)?Å, respectively. The complex mol-ecule is located on a mirror plane. In the crystal, a combination of C-H?N and C-H?Cl hydrogen-bonding inter-actions connect the mol-ecules into a three-dimensional network.

| S-EPMC4331883 | 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