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Poly[[bis-[?2-1,2-bis-(pyridin-4-yl)ethene-?(2) N:N']bis-(thio-cyanato-?N)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate dihydrate].

ABSTRACT: The asymmetric unit of the title compound, {[Co(NCS)2(C12H10N2)2]·C12H10N2·2H2O} n , consists of two independent Co(II) cations, four distinct thio-cyanate anions, six 1,2-bis-(pyridin-4-yl)ethene (4-bpe) mol-ecules and four lattice water mol-ecules. The Co(II) cations are each coordinated by two N-bonded thio-cyanate anions and four 4-bpe ligands within a slightly distorted CoN6 octa-hedron. The two independent Co(II) cations are linked by the 4-bpe ligands into two distinct layers, parallel to the ac and bc planes, that inter-penetrate. From this arrangement, channels are formed in which non-coordinated 4-bpe and lattice water mol-ecules are hydrogen-bonded into chains that elongate in the c-axis direction.

SUBMITTER: Wohlert S

PROVIDER: S-EPMC3884497 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Poly[[bis-[μ2-1,2-bis-(pyridin-4-yl)ethene-κ(2) N:N']bis-(thio-cyanato-κN)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate dihydrate].

Wöhlert Susanne S Jess Inke I Näther Christian C

Acta crystallographica. Section E, Structure reports online 20130810 Pt 9

The asymmetric unit of the title compound, {[Co(NCS)2(C12H10N2)2]·C12H10N2·2H2O} n , consists of two independent Co(II) cations, four distinct thio-cyanate anions, six 1,2-bis-(pyridin-4-yl)ethene (4-bpe) mol-ecules and four lattice water mol-ecules. The Co(II) cations are each coordinated by two N-bonded thio-cyanate anions and four 4-bpe ligands within a slightly distorted CoN6 octa-hedron. The two independent Co(II) cations are linked by the 4-bpe ligands into two distinct layers, parallel to ...[more]

PMID: 24426983

Similar Datasets

A triclinic polymorph of poly[[bis-[μ-1,2-bis-(pyridin-4-yl)ethene-κ(2)N:N']bis-(thio-cyanato-κN)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate].

Project description:In the crystal structure of the title compound, [Co(NCS)(2)(C(12)H(10)N(2))(2)]·C(12)H(10)N(2), the Co(II) cations are octa-hedrally coordinated by two terminally N-bonded thio-cyanate anions and four 1,2-bis-(pyridin-4-yl)ethene (bpe) ligands. The asymmetric unit consists of three crystallographically independent Co(II) cations, six thio-cyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordin-ating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The Co(II) cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261 (2) for the minor domain.

| S-EPMC3379076 | biostudies-literature

Diaqua-bis-[1,2-bis-(pyridin-4-yl)ethene]-bis-[2-(4-carboxy-phen-yl)acetato]-cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(9)H(7)O(4))(2)(C(12)H(10)N(2))(2)(H(2)O)(2)], consists of one Co(2+) ion, one mono-deprotonated 2-(4-carboxyl-atophen-yl)acetate carboxylic acid, one 1,2-bis-(pyridin-4-yl)ethane mol-ecule and one water mol-ecule. The Co(II) atom is situated on a crystallographic center of inversion and is octa-hedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis-(pyridin-4-yl)ethane mol-ecules and two O atoms from two water mol-ecules. A three-dimensional network is established by inter-molecular O-H?O and O-H?N hydrogen bonds.

| S-EPMC3152052 | 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

catena-Poly[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | biostudies-literature

Crystal structure of <i>catena</i>-poly[[[di-aqua-[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethen-yl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis-[dicyanido-gold(I)] 1,2-bis-(pyridin-4-yl)ethene dihydrate].

Project description:In the title compound [Fe(bpe)(Hbpe)Au(CN)2][Au(CN)2]2·bpe·2H2O} n [where bpe = 1,2-bis-(pyridin-4-yl)ethene, C12H10N2], the FeII ion is coordinated in a distorted octa-hedral [FeN4O2] environment by two di-cyano-aurate anions, two water mol-ecules and two partially protonated 1,2-di(4-pyrid-yl)ethyl-ene mol-ecules. Di-cyano-aurate anions bridge the FeII cations, forming infinite chains, which propagate along the a-axis direction. The chains are connected via aurophilic inter-actions with two non-coordinated di-cyano-aurate anions for each FeII ion. The polymeric chains inter-act with each other via π-π stacking between the guest bpe mol-ecules and multiple hydrogen bonds.

| S-EPMC7274000 | biostudies-literature

catena-Poly[[[bis-(methanol-κO)bis-(seleno-cyanato-κN)manganese(II)]-μ-1,2-bis-(pyridin-4-yl)ethane-κ(2) N:N'] 1,2-bis-(pyridin-4-yl)ethane monosolvate].

Project description:The reaction of manganese seleno-cyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe)2(C12H12N2)(CH3OH)2]·C12H12N2} n . The Mn(II) cation is coordinated by two N-bonded seleno-cyanate anions, two bpa ligands and two O-bonded methanol mol-ecules, within a slightly distorted octa-hedral geometry. The Mn(II) cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor co-ligands are located on a twofold rotation axis. In the crystal, the Mn(II) cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (3-10) via O-H⋯N hydrogen-bonding inter-actions.

| S-EPMC3629498 | biostudies-literature

catena-Poly[[[di-aqua-bis-(seleno-cyanato-κN)iron(II)]-μ-1,2-bis-(pyridin-4-yl)ethane-κ(2) N:N'] 1,2-bis-(pyridin-4-yl)ethane disolvate dihydrate].

Project description:The title compound, {[Fe(NCSe)2(C12H12N2)(H2O)2]·2C12H12N2·2H2O} n , was obtained by the reaction of iron(II) sulfate hepta-hydrate and potassium seleno-cyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) in water. The Fe(II) cation is coordinated by two N-bonded seleno-cyanate anions, two water mol-ecules and two 1,2-bis-(pyridin-4-yl)ethane (bpa) ligands in a slightly distorted octa-hedral geometry. In addition, two non-coordinating bpa mol-ecules and two water mol-ecules are present. The Fe(II) cation is located on a center of inversion while the coordinating bpa ligand is located on a twofold rotation axis. The Fe(II) cations are linked by the bpa ligands into chains along the b-axis direction, which are further connected into layers perpedicular to the c axis by O-H⋯N and O-H⋯O hydrogen bonds to the non-coordin-ating bpa and the water mol-ecules. The crystal studied was twinned by pseudo-merohedry (180° rotation along c*; contribution of the minor twin component 3.7%).

| S-EPMC3684883 | biostudies-literature

Bis[tetra-kis-(pyridin-2-yl)methane-κ(3) N,N',N'']cobalt(II) tetra-kis-(thio-cyanato-κN)cobaltate(II) methanol monosolvate.

Project description:The title complex, [Co(C21H16N4)2][Co(NCS)4]·CH3OH, consists of one [Co{C(py)4}2](2+) complex cation [C(py)4 = tetra-kis-(pyridin-2-yl)methane], one [Co(NCS)4](2-) complex anion and a methanol solvent mol-ecule. In the cation, the Co(II) atom is coordinated by six N atoms of two C(py)4 ligands in a distorted octa-hedral geometry. In the anion, the Co(II) atom is coordinated by the N atoms of four NCS(-) ligands in a distorted tetra-hedral geometry. The methanol mol-ecule is disordered and was modelled over three orientations (occupancies 0.8:0.1:0.1). There are two weak hydrogen-bond-like inter-actions between the methanol solvent mol-ecule and NCS(-) ligands of the anion [O⋯S = 3.283 (3) and 3.170 (2) Å].

| S-EPMC3998407 | biostudies-literature

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).

Project description: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.

| S-EPMC3379100 | biostudies-literature

Bis{bis-(azido-κN)bis-[bis-(pyridin-2-yl-κN)amine]cobalt(III)} sulfate dihydrate.

Project description:The search for new mol-ecular materials with inter-esting magnetic properties, using the pseudohalide azide ion and di-2-pyridyl-amine (dpa, C10H9N3) as a chelating ligand, led to the synthesis and structure determination of the title compound, [Co(N3)2(dpa)2]2SO4·2H2O. The crystal structure comprises discrete [Co(dpa)2(N3)2](+) cations, sulfate anions, as well as H2O solvent mol-ecules. The Co(III) cations display a slightly distorted octa-hedral coordination sphere defined by two N atoms from azide anions and four N atoms from the pyridyl rings of two dpa ligands. In the crystal, extensive C-H⋯O, N-H⋯O, and O-H⋯O inter-actions result in supra-molecular sheets that lie parallel to the ab plane. The sheets are further linked through O-H⋯N inter-actions between the water mol-ecules of one sheet and azide anions of another sheet, forming a supra-molecular framework.

| S-EPMC4910331 | biostudies-literature

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