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

ABSTRACT: 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.

SUBMITTER: Uebler JW

PROVIDER: S-EPMC3393148 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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

Uebler Jacob W JW Laduca Robert L RL

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

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. ...[more]

PMID: 22807716

Similar Datasets

Crystal structures of tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)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

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

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].

Project description: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.

| S-EPMC3884497 | 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

Diaqua-bis-[bis-(pyrazin-2-yl) sulfide-κN (4)]bis-(thio-cyanato-κN)iron(II) monohydrate.

Project description:In the title compound [Fe(NCS)2(C8H6N4S)2(H2O)2]·H2O, the Fe(II) cation is coordinated by two N-bonded thio-cyanate anions, two N (4)-bonded bis-(pyrazin-2-yl) sulfide ligands and two water mol-ecules in an slightly distorted octa-hedral geometry. The Fe(II) cation is located on a center of inversion and the lattice water mol-ecule on a twofold rotation axis. The thio-cyanate anions, the coordinating water mol-ecules and the sulfide ligands occupy general positions. The complex mol-ecules and lattice water mol-ecules are linked into a three-dimensional network by O-H-N and O-H⋯O hydrogen bonds.

| S-EPMC3629478 | biostudies-literature

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

[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

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]cobalt(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand substituted by two 2-pyridyl rings (denoted L) has been found to produce the new monomeric title complex, [Co(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The thia-diazole and pyridyl rings surrounding the Co atom are almost coplanar [dihedral angle = 4.35?(7)°]. The mean plane defined by these heterocyclic moieties makes a dihedral angle of 18.72?(6)° with the non-coordinated pyridyl ring. The Co(2+) cation, located at a crystallographic center of symmetry, is bonded to two ligands and two water mol-ecules in a trans configuration in an octa-hedral environment. The tetra-fluorido--borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network along the [010] and [101] directions of O-H?F hydrogen bonds.

| S-EPMC3151744 | biostudies-literature

catena-Poly[[diaqua-bis(thio-cyanato-?N)cobalt(II)]-?-4,4'-bipyridine-?N:N'] 4,4'-bipyridine solvate].

Project description:In the title complex, {[Co(NCS)(2)(C(10)H(8)N(2))(H(2)O)(2)]·C(10)H(8)N(2)}(n), the Co(II) ion is located on an inversion centre and is coordinated by two N atoms from the two 4,4'-bipyridine ligands, two O atoms from the water mol-ecule, and two N atoms from two isothio-cyanate ions in a distorted octa-hedral environment. In the crystal, the coordinated water mol-ecules, isothio-cyanate ions and solvent 4,4'-bipyridine mol-ecules are linked by O-H?S and O-H?N hydrogen bonds into layers parallel to the ab plane.

| S-EPMC2969491 | biostudies-literature

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