Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(thio-cyanato-?N)[tris-(2-pyridylmeth-yl)amine-?N,N',N'',N''']nickel(II) methanol hemisolvate.

ABSTRACT: The title complex, [Ni(NCS)(2)(C(18)H(18)N(4))]·0.5CH(3)OH, consists of two crystallographically distinct complexes and a methanol solvent mol-ecule. The Ni(II) complexes are pseudo-octa-hedral six-coordinate, with the tris-(2-pyridylmeth-yl)amine (TPA) ligand providing four N atoms and two N-bound thio-cyanates providing the final two N atoms. The distances and angles are typical for Ni(II)-TPA complexes. The compound has unit-cell parameters that are surprisingly similar to the previously reported hydrate.

SUBMITTER: Randeniya SR

PROVIDER: S-EPMC2969451 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(thio-cyanato-κN)[tris-(2-pyridylmeth-yl)amine-κN,N',N'',N''']nickel(II) methanol hemisolvate.

Randeniya Sajini R SR Norman Richard E RE

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

The title complex, [Ni(NCS)(2)(C(18)H(18)N(4))]·0.5CH(3)OH, consists of two crystallographically distinct complexes and a methanol solvent mol-ecule. The Ni(II) complexes are pseudo-octa-hedral six-coordinate, with the tris-(2-pyridylmeth-yl)amine (TPA) ligand providing four N atoms and two N-bound thio-cyanates providing the final two N atoms. The distances and angles are typical for Ni(II)-TPA complexes. The compound has unit-cell parameters that are surprisingly similar to the previously repo ...[more]

PMID: 21582701

Similar Datasets

Bis[tris-(1H-pyrazol-1-yl-?N)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-?N)methane]-tris-(thio-cyanato-?N)nickelate(II)} methanol disolvate.

Project description:Attempts to prepare the mononuclear [(tpm)Ni(II)L(3)](-1) [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm)(2)Ni(II)][(tpm)Ni(II)(NCS)(3)](2)·2CH(3)OH or [Ni(C(10)H(10)N(6))(2)][Ni(NCS)(3)(C(10)H(10)N(6))](2)·2CH(3)OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl)methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol-ecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650?(3) and 0.350?(3). There are O-H?S inter-actions between the methanol and the disordered thio-cyanate anion, and a weak C-H?O hydrogen bond between the cation and the methanol O atom.

| S-EPMC3238592 | biostudies-literature

Bis-(thio-cyanato-κN)[tris(pyridin-2-yl-meth-yl)amine-κ(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 π-π 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

catena-Poly[[bis-[[bis-(3-amino-prop-yl)amine-κN,N',N''](thio-cyanato-κN)cadmium]-μ(4)-sulfato-κO,O:O',O'] methanol hemisolvate].

Project description:The asymmetric unit of the title compound, {[Cd(2)(NCS)(2)(SO(4))(C(6)H(17)N(3))(2)]·0.5CH(3)OH}(n), consists of two Cd(2+) cations, two thio-cyanate and one sulfate anion, two bis-(3-amino-prop-yl)amine co-ligands and one methanol molecule with half-occupancy. Each Cd(2+) cation is coordinated by four N atoms of one terminal N-bonded thio-cyanate anion and one bis-(3-amino-prop-yl)amine co-ligand, and by two O atoms of two symmetry-related sulfate anions, defining a slightly distorted octa-hedral coordination polyhedron. Each two Cd(2+) cations are connected into dimers, which are located on centres of inversion and which are further μ-1,1:3,3-bridged via the sulfate anions into polymeric zigzag chains along the a axis.

| S-EPMC3200697 | biostudies-literature

μ-Oxido-bis-{chlorido[tris-(2-pyridylmeth-yl)amine]chromium(III)} bis(hexafluoridophosphate).

Project description:The title compound, [Cr(2)Cl(2)O(C(18)H(18)N(4))(2)](PF(6))(2), is isostructural with the V(III) analogue. Each Cr(III) atom is chelated by the tetra-dentate tris-(2-pyridylmeth-yl)amine ligand via four N atoms, and further coordinated by one Cl atom and one bridging O atom, giving a slightly distorted octa-hedral coordination geometry. The dinuclear complex is centrosymmetric, with the bridging O atom lying on a centre of inversion.

| S-EPMC2914886 | biostudies-literature

Bis(di-2-pyridyl-amine-?N,N')bis-(thio-cyanato-?N)nickel(II).

Project description:The mononuclear neutral title complex, [Ni(NCS)(2)(C(10)H(9)N(3))(2)], shows a cis-octa-hedral geometry around the Ni(II) ion, formed by two chelating di-2-pyridyl-amine (Hdpa) ligands and two thio-cyanate anions. Both amine H atoms are involved in N-H?S hydrogen bonding, resulting in the formation of layers of inter-linked mol-ecules parallel to the ab plane, which are further held together by weak ?-? inter-actions between adjacent complexes, involving one ring of each dipyridyl-amine unit [centroid-centroid distance = 3.777?(4)?Å], forming a three-dimensional assembly.

| S-EPMC3238757 | biostudies-literature

[(6-Methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine][(2-pyridylmeth-yl)amine]copper(II) bis-(perchlorate).

Project description:The title compound, [Cu(C(6)H(8)N(2))(C(13)H(15)N(3))](ClO(4))(2), is a mixed ligand complex with the Cu(II) atom coordinated by (6-methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine, acting as a tridentate ligand, and 2-(2-amino-meth-yl)pyridine, as a bidentate ligand, leading to an N(5) square-pyramidal geometry. The amine H atoms are involved in hydrogen bonding to the perchlorate O atoms and there are extensive but weak inter-molecular C-H⋯O inter-actions in the crystal structure. The perchlorate ions are each disordered over two positions, with site occupancies of 0.601 (8):0.399 (8) and 0.659 (11):0.341 (11).

| S-EPMC2914953 | biostudies-literature

Bis(2-dimethylamino-1,10-phenanthroline-?N,N')bis-(thio-cyanato-?N)nickel(II) methanol disolvate.

Project description:In the title complex, [Ni(NCS)(2)(C(14)H(13)N(3))(2)]·2CH(3)OH, the Ni(II) atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octa-hedral NiN(6) coordination environment. The crystal structure is stabilized by a combination of weak ?-? stacking inter-actions between symmetry-related 1,10-phenanthroline ligands [centroi-centroid distance between benzene rings = 3.5936?(18)?Å] and weak O-H?S, C-H?O and C-H?S hydrogen bonds between methanol and complex mol-ecules.

| S-EPMC2961583 | biostudies-literature

[(2-Pyrid-yl)methanol-κN,O]bis-(thio-cyanato-κN)manganese(II).

Project description:In the title complex, [Mn(NCS)(2)(C(6)H(7)NO)(2)], the Mn(II) atom shows site symmetry 2. The distorted octa-hedral environment of Mn(II) is defined by two N atoms [Mn-N = 2.217 (4) and 2.132 (5) Å] and one O atom [Mn-O 2.305 (4) Å]. There are inter-molecular O-H⋯S hydrogen bonds and inter-molecular π-π stacking inter-actions between adjacent (2-pyrid-yl)methano-late ligands [centroid-centroid distance = 3.5569 (7) Å], leading to a chain structure running along [100].

| S-EPMC2983231 | biostudies-literature

Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate.

Project description:In the mononuclear title complex, [Co(NCS)(2)(C(9)H(10)N(2)O)(2)]·CH(3)OH, the cobalt(II) ion is surrounded by two (1-methyl-1H-benzimidazol-2-yl)methanol bidentate ligands and two thio-cyanate ligands, and exhibits a distorted octa-hedral coordination by four N atoms and two O atoms. The structure is consolidated by hydrogen bonds between the organic ligand, thio-cyanate anion and the uncoordinated methanol mol-ecule, leading to a chain along [100].

| S-EPMC2979919 | biostudies-literature

(Dicyanamido)[tris-(2-pyridylmeth-yl)amine]zinc(II) perchlorate.

Project description:In the title complex, [Zn(C(2)N(3))(C(18)H(18)N(4))]ClO(4), the Zn(II) ion has a slightly distorted trigonal-bipyramidal ZnN(5) coordination geometry. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds. In addition, there are relatively close contacts between the O atoms of the perchlorate anion and symmetry-related pyridine rings [O?Cg = 3.179?(3) and 3.236?(3)?Å, where Cg is the centroid of a pyridine ring], and between the terminal N atom of the dicyanamide ligand and pyridine rings [N?Cg = 3.381?(4)-3.761?(3)?Å]. The central N atom of the dicyanamide ligand is disordered over two sites in an approximately 0.6:0.4 ratio.

| S-EPMC2960752 | 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