Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[N'-(2-pyridylmethyl-ene-?N)benzo-hydrazide-?N']bis-(thio-cyanato-?N)cobalt(II).

ABSTRACT: In the title complex, [Co(NCS)(2)(C(13)H(11)N(3)O)(2)], the Co(II) centre adopts a distorted octa-hedral coordination geometry with two cis-bidentate Schiff base ligands and two cis thio-cyanate ligands. The Schiff base ligand coordinates via the imine N and pyridine N atoms. The Co(II) atom lies on a crystallographic twofold rotational axis. Non-classical inter-molecular C-H?O hydrogen bonds link the complex mol-ecules into chains along [001].

SUBMITTER: Datta A

PROVIDER: S-EPMC2977133 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis[N'-(2-pyridylmethyl-ene-κN)benzo-hydrazide-κN']bis-(thio-cyanato-κN)cobalt(II).

Datta Amitabha A Chuang Nien-Tsu NT Huang Jui-Hsien JH Lee Hon Man HM

Acta crystallographica. Section E, Structure reports online 20090725 Pt 8

In the title complex, [Co(NCS)(2)(C(13)H(11)N(3)O)(2)], the Co(II) centre adopts a distorted octa-hedral coordination geometry with two cis-bidentate Schiff base ligands and two cis thio-cyanate ligands. The Schiff base ligand coordinates via the imine N and pyridine N atoms. The Co(II) atom lies on a crystallographic twofold rotational axis. Non-classical inter-molecular C-H⋯O hydrogen bonds link the complex mol-ecules into chains along [001]. ...[more]

PMID: 21583435

Similar Datasets

N'-(Di-2-pyridylmethyl-ene)benzo-hydrazide.

Project description:In the title Schiff base, C(18)H(14)N(4)O, the amido -NH- unit is connected to one of the two pyridyl N atoms at an N(-H)?N distance of 2.624?(2)?Å. The mol-ecular packing features an inter-molecular C-H?N R(2) (2)(6) hydrogen-bonding ring motif.

| S-EPMC2969230 | biostudies-other

Crystal structure of bis-(tetra-methyl-thio-urea-?S)bis(thio-cyanato-?N)cobalt(II).

Project description:In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thio-urea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thio-cyanate anions and two tetra-methyl-thio-urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra-hedral geometry. Inter-molecular C-H?S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C-H?S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra-molecular C-H?S hydrogen bond between two neighbouring thio-urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364?K and decomposes upon further heating.

| S-EPMC7405571 | biostudies-literature

Crystal structure of di-ethano-lbis(thio-cyanato)-bis(urotropine)cobalt(II) and tetra-ethano-lbis(thio-cyanato)-cobalt(II)-urotropine (1/2).

Project description:The reaction of one equivalent Co(NCS)2 with four equivalents of urotropine (hexa-methyl-ene-tetra-mine) in ethanol leads to the formation of two compounds, namely, bis-(ethanol-κO)bis-(thio-cyanato-κN)bis-(urotropine-κN)cobalt(II), [Co(NCS)2(C6H12N4)2(C2H6O)2] (1), and tetra-kis-(ethanol-κO)bis-(thio-cyanato-κN)cobalt(II)-urotropine (1/2), [Co(NCS)2(C2H6O)4]·2C6H12N4 (2). In 1, the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio-cyanate anions, two ethanol and two urotropine ligands whereas in 2 the cobalt cations occupy position Wyckoff position c and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound 2 contains two additional urotropine solvate mol-ecules per formula unit, which are hydrogen bonded to the complexes. In both compounds, the building blocks are connected via inter-molecular O-H⋯N (1 and 2) and C-H⋯S (1) hydrogen bonding to form three-dimensional networks.

| S-EPMC8739191 | biostudies-literature

Crystal structures of tetra-kis-(pyridine-4-thio-amide-?N)bis-(thio-cyanato-?N)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-?N)bis-(thio-cyanato-?N)zinc(II).

Project description:Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridine-thio-amide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thio-cyanate anions, four 4-pyridine-thio-amide ligands and one water mol-ecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thio-cyanate anion and one 4-pyridine-thio-amide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions and by the N atoms of four 4-pyridine-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H?S hydrogen bonding between the amino H atoms and the thio-cyanate S atoms. From this arrangement, channels are formed in which the water mol-ecules are embedded and linked to the host structure by inter-molecular O-H?S and N-H?O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetra-hedrally coordinated by two N-bonding thio-cyanate anions and the N atoms of two 4-pyridine-thio-amide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by inter-molecular N-H?S hydrogen bonding between the amino H atoms and the thio-amide S atoms.

| S-EPMC5956324 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

| S-EPMC3414167 | biostudies-literature

Crystal structure of bis-(N,N'-di-methyl-thio-urea-?S)bis-(thio-cyanato-?N)cobalt(II).

Project description:During systematic investigations on the synthesis of coordination polymers with Co(NCS)2 involving different thio-urea derivatives as coligands, crystals of the title compound Co(NCS)2(N,N'-di-methyl-thio-urea)2, or [Co(C3H8N2S)2(NCS)2], were obtained. These crystals were non-merohedric twins and therefore, a twin refinement using data in HKLF-5 format was performed. In the crystal structure of this compound, the CoII cations are coordinated by two N-terminally bonded thio-cyanate anions as well as two S-bonding N,N'-di-methyl-thio-urea mol-ecules, forming two crystallographically independent discrete complexes each with a strongly distorted tetra-hedral geometry. An intricate network of inter-molecular N-H?S and C-H?S hydrogen bonds can be found between the complexes. The thermogravimetric curve of the title compound shows two discrete steps in which all coligand mol-ecules have been emitted, which is also accompanied by partial decomposition of the cobalt thio-cyanate. If the measurement is stopped after the first mass loss, only broad reflections of CoS can be found in the XRPD pattern of the residue, which proves that this compound decomposes completely upon heating. However, at lower temperatures an endothermic signal can be found in the DTA and DSC curve, which corresponds to melting, as proven by thermomicroscopy.

| S-EPMC7472772 | biostudies-literature

Diaqua-bis[2-(2-pyridylmeth-oxy)pyrazine-?N]bis-(thio-cyanato-?N)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(10)H(9)N(3)O)(2)(H(2)O)(2)], the Co(II) ion is located on a crystallographic twofold rotation axis and is in a slightly distorted octa-hedral CoN(4)O(2) coordination environment. The dihedral angle between the pyridine and pyrazine rings is 85.86?(10)°. In the crystal structure, inter-molecular O-H?N and O-H?S hydrogen bonds link complex mol-ecules into a three-dimensional network.

| S-EPMC2959305 | biostudies-literature

[Bis(3-amino-prop-yl)amine-?N,N',N'']bis-(thio-cyanato-?N)cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(NCS)(2)(C(6)H(17)N(3))], consists of one Co(2+) cation, two thio-cyanate anions and one bis-(3-amino-prop-yl)amine ligand, all in general positions. The cobalt cation is coordinated by five N atoms of two terminal N-bonded thio-cyanate anions and one bis-(3-amino-prop-yl)amine ligand, defining a slightly distorted square-pyramidal coordination polyhedron. The mol-ecules are held together in the crystal by weak N-H?S inter-actions.

| S-EPMC3212118 | biostudies-literature

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

Project description:In the title compound, [Co(NCS)?(C??H?N?O)?(H?O)?], 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

Aqua-(hexa-methyl-enetetra-mine-?N)bis-(methanol-?O)bis-(thio-cyanato-?N)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(6)H(12)N(4))(CH(4)O)(2)(H(2)O)], the six-coordinated Co atom has a slightly distorted octa-hedral geometry. The molecules are linked by intermolecular O-H?S and O-H?N hydrogen bonds, forming a three- dimensional crystal structure. Intramolecular C-H?N and C-H?O hydrogen bonds are also present.

| S-EPMC2960658 | biostudies-literature

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