Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[(2-{[2-(dimethyl-ammonio)-eth-yl]imino-meth-yl}pyridine-?(2)N,N')bis-(thio-cyanato-?N)manganese(II)]-?-thio-cyanato-?(2)N:S].

ABSTRACT: In the title one-dimensional coordination polymer, [Mn(NCS)(3)(C(10)H(16)N(3))](n), the Mn(II) atom is coordinated by an N,N'-bidentate Schiff base and four thio-cyanate ligands in a distorted octa-hedral N(5)S geometry. Bridging thio-cyanate ligands inter-connect adjacent [Mn(NCS)(2)(C(10)H(16)N(3))] units, giving rise to helical chains extending along the b axis. The chains are further linked through N-H?S hydrogen bonds, leading to a three-dimensional supra-molecular network.

SUBMITTER: Wang J

PROVIDER: S-EPMC3414171 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[(2-{[2-(dimethyl-ammonio)-eth-yl]imino-meth-yl}pyridine-κ(2)N,N')bis-(thio-cyanato-κN)manganese(II)]-μ-thio-cyanato-κ(2)N:S].

Wang Jun J Zhu Wubiao W Li Jichang J

Acta crystallographica. Section E, Structure reports online 20120728 Pt 8

In the title one-dimensional coordination polymer, [Mn(NCS)(3)(C(10)H(16)N(3))](n), the Mn(II) atom is coordinated by an N,N'-bidentate Schiff base and four thio-cyanate ligands in a distorted octa-hedral N(5)S geometry. Bridging thio-cyanate ligands inter-connect adjacent [Mn(NCS)(2)(C(10)H(16)N(3))] units, giving rise to helical chains extending along the b axis. The chains are further linked through N-H⋯S hydrogen bonds, leading to a three-dimensional supra-molecular network. ...[more]

PMID: 22904778

Similar Datasets

Bis(2-meth-oxy-6-{[2-(methyl-ammonio)eth-yl]imino-meth-yl}phenolato)thio-cyanato-zinc(II) thio-cyanate hemihydrate.

Project description:The title mononuclear zinc(II) complex, [Zn(C(11)H(16)N(2)O(2))(2)(NCS)]NCS·0.5H(2)O, consists of a complex cation, a thio-cyanate anion, and half of a water mol-ecule. The Zn(II) atom in the cation is five-coordinated by two imine N and two phenolate O atoms from two bidentate Schiff base ligands, and by one N atom of a thio-cyanate ligand, forming a distorted trigonal-bipyramidal geometry. The ammonio H atoms are involved in hydrogen bonding with the ligand O atoms and the solvent water molecules (site occupation factor 0.5), which partially determines the conformation of the ligands.

| S-EPMC2969465 | biostudies-literature

Bis{2-eth-oxy-6-[2-(ethyl-ammonio)ethyl-imino-meth-yl]phenolato}thio-cyanato-zinc(II) nitrate.

Project description:The title complex, [Zn(NCS)(C(13)H(20)N(2)O(2))(2)]NO(3), consists of a complex mononuclear Zn(II) cation and a nitrate counter-anion. The Zn(II) ion is five-coordinate in a trigonal-bipyramidal geometry. The thio-cyanate N atom and two O atoms from two Schiff bases define the equatorial plane, and the two imine N atoms from the same two Schiff bases occupy the axial positions, with an N-Zn-N angle of 175.98?(7)°. The amine N atoms of the Schiff base ligands are protonated and are not involved in the coordination to the metal. The dihedral angle between the two substituted benzene rings is 87.7?(2)°. The nitrate counter-ions are linked to the cations through N-H?O hydrogen bonds.

| S-EPMC2959439 | biostudies-literature

Bis{2-eth-oxy-6-[2-(methyl-ammonio)ethyl-imino-meth-yl]phenolato}thio-cyanato-zinc(II) nitrate.

Project description:In the title compound, [Zn(NCS)(C(12)H(18)N(2)O(2))(2)]NO(3), the Zn(II) ion is chelated by the phenolate O and imine N atoms from two zwitterionic Schiff base ligands and is also coordinated by the N atom of a thio-cyanate ligand, giving a distorted trigonal-bipyramidal geometry. Intra-molecular N-H?O hydrogen bonds are observed in the complex cation. The nitrate anions are linked to the complex cations through N-H?O hydrogen bonds.

| S-EPMC2979686 | biostudies-literature

Bis{2-[(2,4-dimethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}bis-(thio-cyanato-κN)cadmium.

Project description:The title compound, [Cd(NCS)(2)(C(14)H(14)N(2))(2)], features crystallographic inversion symmetry with the Cd(II) ion located on a centre of inversion. The Cd(II) ion is six-coordinated in a slightly distorted octa-hedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An inter-molecular C-H⋯S hydrogen bond stabilizes the crystal structure.

| S-EPMC3274934 | biostudies-literature

catena-Poly[[{2-[(2-hy-droxy-eth-yl)imino-meth-yl]-6-meth-oxy-phenolato}copper(II)]-μ-thio-cyanato].

Project description:In the title thio-cyanate-bridged polynuclear copper(II) complex, [Cu(C(10)H(12)NO(3))(NCS)](n), the Cu atom is five-coordinated in a square-pyramidal geometry, with one phenolato O, one imino N and one hy-droxy O atom of a Schiff base ligand and one thio-cyanato N atom defining the basal plane, and with one thio-cyanato S atom occupying the apical position. In the crystal structure, pairs of adjacent complex mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds into dimers. The dimers are further linked via Cu⋯S inter-actions, forming two-dimensional layers parallel to the bc plane.

| S-EPMC3008078 | biostudies-literature

Bis{2-eth-oxy-6-[2-(isopropyl-ammonio)ethyl-imino-meth-yl]phenolato}dithio-cyanato-nickel(II).

Project description:In the mononuclear title complex, [Ni(NCS)(2)(C(14)H(22)N(2)O(2))(2)], the Ni atom lies on an inversion centre. It is chelated by the phenolate O and imine N atoms from two zwitterionic Schiff base ligands, and is also coordinated by the N atoms from two thio-cyanate ligands, giving a slightly distorted octa-hedral geometry. Intra-molecular N-H?O and N-H?N hydrogen bonds are observed.

| S-EPMC2979711 | biostudies-literature

Redetermination of {2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenol-ato}-dithio-cyanato-zinc(II).

Project description:In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenolate Schiff base ligand, and by two N atoms from two thio-cyanate ligands, forming a distorted tetra-hedral geometry. In the crystal structure, adjacent mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming a chain in the [101] direction.

| S-EPMC2969054 | biostudies-literature

(Z)-N-[2-(Dimethyl-ammonio)eth-yl]thio-acetamide chloride.

Project description:The thio-amide and quaternary amine parts of the title compound, C(6)H(15)N(2)S(+)·Cl(-), are mutually almost perpendicular, the dihedral angle being 80.6?(7)°. The thio-amide group is planar and adopts a Z conformation, whereas the amine end of the cation is in an extended conformation. In the supra-molecular structure, mol-ecules are linked into centrosymmetric dimers by two hydrogen bonds: N-H(amine)?Cl and N-H(thio-amide)?Cl.

| S-EPMC2915290 | biostudies-other

Bis{2-[3-(dimethyl-ammonio)-propyl-imino-methyl-?N]-6-meth-oxy-phenolato-?O}bis-(thio-cyanato-?N)nickel(II).

Project description:The asymmetric unit of the title complex, [Ni(NCS)(2)(C(13)H(20)N(2)O(2))(2)], consists of two half-mol-ecules, both of which are completed by crystallographic inversion symmetry (Ni(2+) site symmetry = in both cases). Both metal ions are six-coordinated in distorted trans-NiO(2)N(4) geometries arising from two N,O-bidentate Schiff base ligands and two N-bonded thio-cyanate ions. The mol-ecular conformations are reinforced by two intra-molecular N-H?O hydrogen bonds.

| S-EPMC3009057 | biostudies-literature

catena-Poly[[{N,N-dimethyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine-?N,N',N''}(thio-cyanato-?N)cadmium]-?-thio-cyanato-?S:N].

Project description:In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.

| S-EPMC3099776 | 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