Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A two-dimensional coordination polymer: poly[[bis-[?2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-?3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].

ABSTRACT: The title compound, {[Cd(C9H11N2S2)2]·C6H7N} n , features two ?2-?3-di-thio-carbamate ligands each of which chelates one CdII atom, via the S atoms, while simultaneously bridging to another via the pyridyl-N atom. The result is a two-dimensional coordination polymer extending parallel to the ab plane with square channels along the b axis. The CdII atom geometry is based on a distorted cis-N2S4 octa-hedron. The 3-methyl-pyridine mol-ecules reside in the channels aligned along the b axis, being held in place by methyl-ene-C-H?N(3-methyl-pyridine) and (3-methyl-pyridine)-C-H??(pyrid-yl) inter-actions. Pyridyl-C-H?S and di-thio-carbamate-methyl-C-H??(pyrid-yl) inter-actions provide connections between layers along the c axis.

SUBMITTER: Arman HD

PROVIDER: S-EPMC5382605 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

A two-dimensional coordination polymer: poly[[bis-[μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].

Arman Hadi D HD Poplaukhin Pavel P Tiekink Edward R T ERT

Acta crystallographica. Section E, Crystallographic communications 20170310 Pt 4

The title compound, {[Cd(C9H11N2S2)2]·C6H7N} n , features two μ2-κ3-di-thio-carbamate ligands each of which chelates one CdII atom, via the S atoms, while simultaneously bridging to another via the pyridyl-N atom. The result is a two-dimensional coordination polymer extending parallel to the ab plane with square channels along the b axis. The ...[more]

PMID: 28435704

Similar Datasets

A one-dimensional coordination polymer, catena-poly[[[[N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ2S,S']zinc(II)]-μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3S,S':N] 4-methyl-pyridine hemisolvate].

Project description:The title compound, {[Zn(C9H11N2S2)2]·0.5C6H7N} n , comprises two independent, but chemically similar, Zn[S2CN(Et)CH2py]2 residues and a 4-methyl-pyridine solvent mol-ecule in the asymmetric unit. The Zn-containing units are connected into a one-dimensional coordination polymer (zigzag topology) propagating in the [010] direction, with one di-thio-carbamate ligand bridging in a μ2-κ3 mode, employing one pyridyl N and both di-thio-carbamate S atoms, while the other is κ2-chelating. In each case, the resultant ZnNS4 coordination geometry approximates a square pyramid, with the pyridyl N atom in the apical position. In the crystal, the chains are linked into a three-dimensional architecture by methyl- and pyridyl-C-H⋯S, methyl-ene-C-H⋯N(pyrid-yl) and pyridyl-C-H⋯π(ZnS2C) inter-actions. The connection between the chain and the 4-methyl-pyridine solvent mol-ecule is of the type pyridyl-C-H⋯N(4-methyl-pyridine).

| S-EPMC5598840 | biostudies-literature

Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN1)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.

Project description:The asymmetric unit of the title compound, [Co(NCS)2(C6H6NS)4]·CH3OH, consists of one cobalt(II) cation, two thio-cyanate anions, four pyridine-4-carbo-thio-amide ligands and one methanol mol-ecule that are located in general positions. The CoII cations are coordinated by two terminal N-bonding thio-cyanate anions and four N-bonding pyridine-4-carbo-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 and pyridine-4-carbo-thio-amide S atoms. From this arrangement, channels are formed in which the methanol solvate mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding.

| S-EPMC5683514 | biostudies-literature

Dichlorido{(2E)-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbo-thio-amide}cadmium(II) methanol monosolvate.

Project description:In the title compound, [CdCl2(C13H12N4S)]·CH3OH, the coord-ination geometry of the Cd(II) ion is slightly distorted square-pyramidal, as indicated by the ? index of 0.36?(8). The S atom, two N atoms from the pyridyl-azomethine moiety and one of the Cl atoms comprise the basal plane, while the other Cl atom occupies the apical position. The hydrazinecarbo-thio-amide moiety adopts an E conformation with respect to the azomethine bond. The solvate mol-ecule in the crystal lattice plays a major role in inter-connecting adjacent mol-ecules by means of O-H?Cl and N-H?O hydrogen-bonding inter-actions. A supra-molecular three-dimensional architecture is sustained in terms of further N-H?Cl and C-H?Cl hydrogen-bonding inter-actions.

| S-EPMC4158520 | biostudies-literature

Crystal structure of bis-(2,2'-bi-pyridine-κ(2) N,N')bis-(thio-cyanato-κN)mang-anese(II) 2,2'-bi-pyridine monosolvate.

Project description:In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the Mn(II) cation is coordin-ated in an all-cis configuration by two N-bound thio-cyanate anions and two 2,2'-bi-pyridine ligands within a slightly distorted octa-hedral environment. The asymmetric unit consists of one Mn(II) cation, two thio-cyanate anions and two 2,2'-bi-pyridine ligands, as well as two non-coordinating 2,2'-bi-pyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex mol-ecules are arranged in such a way that cavities are formed, in which the solvent 2,2'-bi-pyridine mol-ecules are located. Apart from van der Waals forces, there are no remarkable inter-molecular inter-actions present in the crystal structure.

| S-EPMC4331911 | biostudies-literature

6-Chloro-N-(pyridin-4-ylmeth-yl)pyridine-3-sulfonamide.

Project description:In the title sulfonamide derivative, C11H10ClN3O2S, the dihedral angle between the pyridine rings is 46.85?(12)°. The N atom of the chloro-pyridine ring is anti to the N-H bond. In the crystal, mol-ecules are linked through N-H?N hydrogen bonds into zigzag chains parallel to [001] with a C(7) graph-set motif.

| S-EPMC3885039 | biostudies-literature

Crystal structure of poly[[μ-4-(hy-droxy-meth-yl)pyridine-κ(2) N:O][4-(hy-droxy-meth-yl)pyridine-κN](μ-thio-cyanato-κ(2) N:S)(thio-cyanato-κN)cadmium].

Project description:The crystal structure of the title compound, [Cd(NCS)2(C6H7NO)2] n is made up of Cd(2+) cations that are coordinated by three thio-cyanate ligands and three 4-(hy-droxy-meth-yl)pyridine ligands within distorted N4OS octa-hedra. The asymmetric unit consists of one Cd(2+) cation, two thio-cyanate anions and two 4-(hy-droxy-meth-yl)pyridine ligands in general positions. Two Cd(2+) cations are linked by two μ-1,3 N- and S-bonding thio-ycanate anions into dimers which are further linked into branched chains along [100] by two μ-1,6 N- and O-bonding 4-(hy-droxy-meth-yl)pyridine ligands. One additional N-bonded 4-(hy-droxy-meth-yl)pyridine ligand and one additional N-bonded thio-cyanate anion are only terminally bonded to the metal cation. Inter-chain O-H⋯S hydrogen bonds between the hy-droxy H atoms and one of the thio-cyanate S atoms connect the chains into a three-dimensional network.

| S-EPMC4459314 | biostudies-literature

catena-Poly[[silver(I)-μ-N-(pyridin-3-ylmeth-yl)pyridine-2-amine-κ(2) N:N'] tri-fluoro-methane-sulfonate].

Project description:In the asymmetric unit of the title polymeric complex, {[Ag(C11H11N3)](CF3SO3)} n , there are two Ag(I) atoms, two N-(pyridin-3-ylmeth-yl)pyridine-2-amine ligands (A and B) and two CF3SO3 (-) anions. One Ag(I) atom is coordinated by two pyridine N atoms from two symmetry-related A ligands in a geometry slightly distorted from linear [N-Ag-N = 173.2 (3)°], forming a left-handed helical chain, while the other Ag(I) atom is coordinated by two pyridine N atoms from two symmetry-related B ligands in a bent arrangement [N-Ag-N = 157.1 (3)°], forming a right-handed helical chain. Both helical chains have the same pitch length [10.4007 (7) Å], propagate along the b-axis direction and are alternately arranged via Ag⋯Ag [3.0897 (12) Å] and π-π stacking inter-actions [centroid-centroid distances = 3.564 (7) and 3.518 (6) Å], resulting in the formation of a two-dimensional supra-molecular network extending parallel to the ab plane. Inter-molecular N-H⋯O, C-H⋯O and C-H⋯F hydrogen-bonding inter-actions occur between the helical chains and the anions.

| S-EPMC3772439 | biostudies-literature

2-(Pyridin-2-yl-amino)-pyridinium thio-cyanate acetonitrile monosolvate.

Project description:The title compound, C(10)H(10)N(3) (+)·NCS(-)·CH(3)CN, is the acetonitrile solvate of the thio-cyanate salt of protonated dipyridin-2-yl-amine. Protonation occurs at one of the pyridine N atoms. The mol-ecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the crystal, N-H?N hydrogen bonds, as well as C-H?S contacts link the different residues into chains along the c-axis direction. Inter-action between aromatic systems gives rise to ?-stacking, the shortest distance between two ?-systems being 3.6902?(6)?Å. Both the protonated and the non-protonated pyridyl groups are involved in the latter inter-action.

| S-EPMC3213439 | biostudies-literature

Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

| S-EPMC4778826 | biostudies-literature

[Bis(pyridin-2-ylmeth-yl) ether]trichlorido-rhodium(III) dichloro-methane monosolvate: unusual hydrolysis of the methyl-ene bridge in (pyrazolylmeth-yl)pyridine.

Project description:In the title compound, [RhCl(3)(C(12)H(12)N(2)O)]·CH(2)Cl(2), the Rh(III) atom shows a slightly distorted octa-hedral geometry being coordinated by two N atoms and one O atom from the 2,2'-(oxydimethanedi-yl)dipyridine ligand and three Cl atoms. Two Cl atoms adopt a trans arrangement to the two pyridyl N atoms, while the third Cl atom and the O atoms occupy the axial site. The Rh-Cl bonds that are trans to the pyridyl N atoms are slightly longer than the Rh-Cl bond distance trans to the O atom.

| S-EPMC3212169 | biostudies-literature