Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{N(2),N(6)-bis-[(pyridin-3-yl)meth-yl]pyridine-2,6-dicarboxamide-?N}bis-(methanol-?O)bis-(thio-cyanato-?N)cobalt(II).

ABSTRACT: In the title compound, [Co(NCS)(2)(C(19)H(17)N(5)O(2))(2)(CH(3)OH)(2)], the Co(II) atom lies on an inversion center and is coordinated by two isothio-cyanate N atoms, two O atoms of methanol mol-ecules and two pyridine N atoms in a slightly distorted octa-hedral environment. Inter-molecular O-H?O and N-H?N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane.

SUBMITTER: Yang GR

PROVIDER: S-EPMC3379100 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{N(2),N(6)-bis-[(pyridin-3-yl)meth-yl]pyridine-2,6-dicarboxamide-κN}bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II).

Yang Guang-Rui GR Ren Juan J Li Guo-Ting GT

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title compound, [Co(NCS)(2)(C(19)H(17)N(5)O(2))(2)(CH(3)OH)(2)], the Co(II) atom lies on an inversion center and is coordinated by two isothio-cyanate N atoms, two O atoms of methanol mol-ecules and two pyridine N atoms in a slightly distorted octa-hedral environment. Inter-molecular O-H⋯O and N-H⋯N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane. ...[more]

PMID: 22719321

Similar Datasets

catena-Poly[[bis-(methanol-κO)bis-(thio-cyanato-κN)cobalt(II)]-μ-1,3-bis-(pyridin-4-yl)propane-κN,N'].

Project description:The asymmetric unit of the title compound, [Co(NCS)(2)(C(13)H(14)N(2))(CH(3)OH)(2)], consists of one cobalt(II) cation located on a center of inversion, one half of a 1,3-bis-(pyridin-4-yl)propane ligand located on a twofold rotation axis, as well as one thio-cyanate anion and one methanol mol-ecule in general positions. The cobalt(II) cation is coordinated by two terminal N-bonded thio-cyanate anions and two N-bonded 1,3-bis-(pyridin-4-yl)propane ligands, as well as two O atoms of methanol mol-ecules in a slightly distorted octa-hedral coordination mode. Adjacent cations are connected into chains parallel to [10[Formula: see text]] by the bridging 1,3-bis-(pyridin-4-yl)propane ligands. These chains are connected through inter-molecular O-H⋯S hydrogen bonds between the methanol hy-droxy group and the terminal S atom of the thio-cyanate anion.

| S-EPMC3274874 | biostudies-literature

Bis(3-acetyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)nickel(II).

Project description:In the crystal structure of the title compound, [Ni(NCS)(2)(C(7)H(7)NO)(2)(CH(3)OH)(2)], the Ni(2+) cations are coordinated by two thio-cyanate anions, two 3-acetyl-pyridine ligands and two methanol mol-ecules within slightly distorted NiN(4)O(2) octa-hedra. The asymmetric unit consists of one Ni(2+) cation, which is located on a center of inversion, as well as one thio-cyanate anion, one 3-acetyl-pyridine ligand and one methanol mol-ecule in general positions. The discrete complexes are linked by two pairs of O-H⋯O hydrogen bonds between the hy-droxy H atom and the acetyl O atom into chains along the b axis.

| S-EPMC3343840 | biostudies-literature

Bis(acetyl-acetonato-κO,O')(methanol-κO)(thio-cyanato-κN)manganese(III).

Project description:In the title complex, [Mn(C(5)H(7)O(2))(2)(NCS)(CH(4)O)], the Mn(III) atom has a slightly distorted octa-hedral coordination formed by five O atoms and one N atom. The equatorial positions are occupied by four O atoms of two acetyl-acetonate ligands, while the axial positions are occupied by the N atom of the thio-cyanate anion and the O atom of the methanol mol-ecule. In the crystal structure, complex mol-ecules are linked by an inter-molecular O-H⋯S hydrogen bond, forming a chain running along [101].

| S-EPMC2959789 | biostudies-literature

Bis[2-(pyridin-2-yl)ethanol-κN,O]bis-(thio-cyanato-κN)nickel(II).

Project description:In the title complex, [Ni(NCS)(2)(C(7)H(9)NO)(2)], the Ni(II) atom is in a distorted octa-hedral coordination environment defined by two N atoms of the two thio-cyanate ions and by the N and O atoms of the two chelating 2-(pyridin-2-yl)ethanol ligands. The complex mol-ecule is located around a crystallographic inversion center. In the crystal, mol-ecules are connected into a two-dimensional polymeric structure parallel to (100) by O-H⋯S hydrogen bonds.

| S-EPMC3011802 | 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

catena-Poly[[[2,6-bis-(pyrazol-1-yl-κN)pyridine-κN](nitrato-κO,O')cadmium(II)]-μ-thio-cyanato-κN:S].

Project description:In the title crystal structure, [Cd(NCS)(NO(3))(C(11)H(9)N(5))](n), the unique Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal environment. The axial thio-cyanate ligands act in a μ(1,3)-bridging mode to connect symmetry-related Cd(II) ions into one-dimensional chains along [010]. In addition, there are inter-molecular C-H⋯O contacts between chains.

| S-EPMC2959772 | biostudies-literature

Diaqua-bis-[N-(pyridin-4-yl)isonicotin-amide-κN]bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title compound, [Co(NCS)₂(C₁₁H₉N₃O)₂(H₂O)₂], the octa-hedrally coordinated Co(II) ion lies on a crystallographic inversion center and is bound by two isothio-cyanate ligands, two aqua ligands and two N-(pyridin-4-yl)isonicotinamide (4-pina) ligands. The dihedral angle between the aromatic rings in the 4-pina ligand is 8.98 (11)°. In the crystal, the individual mol-ecular units are aggregated in three dimensions by O-H⋯N, O-H⋯S and N-H⋯S hydrogen-bonding pathways.

| S-EPMC3393148 | biostudies-literature

(Methanol-κO){1-[2-(piperazin-4-ium-1-yl-κN(1))ethyl-imino-methyl-κN]naphthalen-2-olato-κO}bis-(thio-cyanato-κN)nickel(II) methanol monosolvate.

Project description:In the title solvated complex, [Ni(C(17)H(21)N(3)O)(NCS)(2)(CH(3)OH)]·CH(3)OH, the Ni(2+) ion is coordinated by one phenolate O, one imine N, and one amine N atom of the tridentate Schiff base ligand, two thio-cyanate N atoms and one methanol O atom, resulting in a distorted cis-NiO(2)N(4) octa-hedral geometry. The chelate ring formed by the phenolate O and imine N atoms approximates to an envelope with the Ni atom as the flap, whereas the chelate ring formed by the two N atoms is twisted about the C-C bond. In the crystal, the components are linked by O-H⋯O, N-H⋯O, N-H⋯S, and O-H⋯S hydrogen bonds.

| S-EPMC3344305 | 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

Poly[bis-(methanol-κO)tris-(μ-pyrimidine-κN:N')tetra-kis(thio-cyanato-κN)dinickel(II)].

Project description:In the crystal structure of the title compound, [Ni(2)(NCS)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), each nickel(II) cation is coordinated by three N-bonded pyrimidine ligands, two N-bonded thio-cyanate anions and one O-bonded methanol mol-ecule in a distorted octa-hedral environment. The asymmetric unit consists of one nickel cation, two thio-cyanate anions and one methanol mol-ecule in general positions, as well as one pyrimidine ligand located around a twofold rotation axis. The crystal structure consists of μ-N:N' pyrimidine-bridged zigzag-like nickel thio-cyanate chains; these are further linked by μ-N:N-bridging pyrimidine ligands into layers which are stacked perpendicular to the b axis. The layers are connected via weak O-H⋯S hydrogen bonding.

| S-EPMC2968860 | 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