Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Peng S

PROVIDER: S-EPMC2969465 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Peng Sanjun S Zhang Fen F

Acta crystallographica. Section E, Structure reports online 20090620 Pt 7

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 molecu ...[more]

PMID: 21582724

Similar Datasets

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-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

Bis(2-{[2-(isopropyl-aza-nium-yl)eth-yl]imino-meth-yl}-6-meth-oxy-phenolato)copper(II) bis-(thio-cyanate).

Project description:The asymmetric unit of the title compound, [Cu(C(13)H(20)N(2)O(2))(2)](NCS)(2), contains one half-dication, located on an inversion center, and one thio-cyanate anion. Each Cu(II) atom is four-coordinated by two phenolate O and two imine N atoms from two symmetry-related Schiff base 2-{[2-(isopropyl-aza-nium-yl)eth-yl]imino-meth-yl}-6-meth-oxy-phenolate (L) ligands in a distorted square-planar geometry. The ammonium groups are involved in the formation of N-H⋯O and N-H⋯N hydrogen bonds, which link one dication and two anions into an electroneutral cluster. When very weak Cu-N interactions with a distance of 2.910 (5) Å between the metal and the thiocyanate anions in apical positions are considered, the secondary coordination polyhedron is a very elongated CuN(4)O(2) octahedron.

| S-EPMC3051500 | 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

Dichlorido{2-[3-(dimethyl-ammonio)-propyl-imino-meth-yl]phenolato}zinc(II) hemihydrate.

Project description:The title complex, [ZnCl(2)(C(12)H(18)N(2)O)]·0.5H(2)O, is a mononuclear zinc(II) compound derived from the zwitterionic form of the Schiff base 2-[3-(dimethyl-amino)propyl-imino-meth-yl]-phenol. The Zn(II) atom is four-coordinated by the imine N and the phenolate O atoms of the Schiff base ligand, and by two chloride ions, in a distorted tetra-hedral coordination geometry. The dimethyl-ammonio group is disordered over two positions with site occupancies of 0.51 (3) and 0.49 (3). In the asymmetric unit, there is also a disordered water mol-ecule with a partial occupancy of 0.5. In the crystal structure, the water mol-ecules are linked to the Schiff base complex mol-ecules through inter-molecular N-H⋯O hydrogen bonds. Mol-ecules are further linked through additional inter-molecular N-H⋯O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2959570 | biostudies-literature

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].

Project description: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.

| S-EPMC3414171 | biostudies-literature

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

Project description:The title complex, [Ni(C(13)H(20)N(2)O(2))(2)](NCS)(2), consists of a centrosymmetric mononuclear four-coordinate nickel(II) complex cation and two thio-cyanate anions. The Ni atom is located on an inversion center and is coordinated by two phenol O atoms and two imine N atoms from two equivalent Schiff base ligands, in a square-planar geometry. In the crystal structure, the amino H atoms are involved in N-H⋯O hydrogen bonds with the phenol and meth-oxy O atoms of the ligand, and in N-H⋯N hydrogen bonds with the N atoms of the thio-cyanate anions, which sit above and below the Ni atom.

| S-EPMC2960988 | biostudies-literature

{2-[2-(Ethyl-amino)ethyl-imino-meth-yl]-5-methoxy-phenolato}thio-cyanato-nickel(II).

Project description:In the title mononuclear nickel(II) complex, [Ni(C(12)H(17)N(2)O(2))(NCS)], the metal atom is four-coordinated in a tetra-hedrally distorted square-planar geometry by the phenolate O atom, the imine N atom and the amine N atom of the Schiff base ligand and by the N atom of a thio-cyanate ligand. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers through inter-molecular N-H⋯O hydrogen bonds. These dimers are further connected by inter-molecular C-H⋯S hydrogen bonds, forming chains running parallel to [101].

| S-EPMC2979965 | biostudies-literature

{4-Bromo-2-[2-(isopropyl-amino)ethyl-imino-meth-yl]phenolato}thio-cyanato-copper(II).

Project description:In the title mononuclear Schiff base copper(II) complex, [Cu(C(12)H(16)BrN(2)O)(NCS)], the Cu(II) ion is coordinated by two N atoms and one O atom from a Schiff base ligand, and by one N atom from a thio-cyanate anion, giving a square-planar geometry. There are long-range inter-actions between the Cu atom and S [3.151 (5) Å] and Br [3.929 (5) Å] atoms above and below the square plane.

| S-EPMC2961070 | 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