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Bis[2-(1H-pyrazol-3-yl-?N)pyridine-?N]dithio-cyanato-?N,?S-cadmium(II).

ABSTRACT: The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H?N and N-H?S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of neighbouring SCN(-) anions. This arrangement leads to the formation of sheets parallel to (100). Face-to-face ?-? stacking inter-actions with shortest inter-planar distances of 3.805?(2) and 3.696?(2)?Å help to consolidate the crystal packing.

SUBMITTER: Cai H

PROVIDER: S-EPMC2983401 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Bis[2-(1H-pyrazol-3-yl-κN)pyridine-κN]dithio-cyanato-κN,κS-cadmium(II).

Cai Hua H Guo Ying Y Li Jian-Gang JG

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H⋯N and N-H⋯S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of nei ...[more]

PMID: 21587364

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Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)-aqua-[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid]dithio-cyanato-nickel(II) (1/1).

Project description:In the title cocrystal, [Ni(C(11)H(10)N(3)O(2))(2)]·[Ni(NCS)(2)(C(11)H(11)N(3)O(2))(H(2)O)], both Ni(II) ions are in disorted octa-hedral coordination environments. One Ni(II) ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate (DPP) ligands, while the other Ni(II) ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-yl))picolinic acid (DPPH) ligand and by two N atoms and one O atom from two thio-cyanate and one water ligand, respectively. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O and O-H⋯S hydrogen bonds, forming extended chains along [010].

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[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-?N)-1,10-phenanthroline-?N,N']bis-(thio-cyanato-?N)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(22)H(20)N(6))], the Cd(II) ion is in a CdN(6) coordination geometry which is inter-mediate between octa-hedral and trigonal-prismatic. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74?(15) and 16.30?(13)°. In the crystal, there is a ?-? stacking inter-action involving two symmetry-related pyrazole rings, with a centroid-centroid distance of 3.664?(3)?Å. In addition, there is a relatively short inter-molecular contact between C atoms [C?C = 3.399?(6)?Å] involving symmetry-related pyridine rings along the a axis.

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Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

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Aqua-(benzene-1,2-dicarboxyl-ato-?O)bis-[2-(1H-pyrazol-3-yl-?N)pyridine-?N]cadmium(II).

Project description:In the mononuclear title complex, [Cd(C(8)H(4)O(4))(C(8)H(7)N(3))(2)(H(2)O)], the Cd(II) atom is six-coordinated in a distorted octa-hedral geometry by four N atoms from two bidentate chelating 2-(1H-pyrazol-3-yl)pyridine ligands, one O atom from a benzene-1,2-dicarboxyl-ate ligand and one water mol-ecule. The mol-ecular structure features intra-molecular O-H?O and N-H?O hydrogen bonds. In the crystal structure, the complex mol-ecules are assembled into a two-dimensional supra-molecular layer parallel to (011) via O-H?O and N-H?O hydrogen bonds and ?-? stacking inter-actions between the pyridyl and pyrazole rings [centroid-centroid distances = 3.544?(2) and 3.722?(3)?Å].

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Bis[tris-(1H-pyrazol-1-yl-?N)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-?N)methane]-tris-(thio-cyanato-?N)nickelate(II)} methanol disolvate.

Project description:Attempts to prepare the mononuclear [(tpm)Ni(II)L(3)](-1) [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm)(2)Ni(II)][(tpm)Ni(II)(NCS)(3)](2)·2CH(3)OH or [Ni(C(10)H(10)N(6))(2)][Ni(NCS)(3)(C(10)H(10)N(6))](2)·2CH(3)OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl)methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol-ecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650?(3) and 0.350?(3). There are O-H?S inter-actions between the methanol and the disordered thio-cyanate anion, and a weak C-H?O hydrogen bond between the cation and the methanol O atom.

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Bis{2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl-?N)meth-yl]pyridine-?N}copper(II) dinitrate.

Project description:In the mononuclear title complex, [Cu(C(16)H(19)N(5))(2)](NO(3))(2), the Cu(II) ion is located on a twofold rotation axis and is six-coordinated by six N atoms from two 2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl)meth-yl]pyridine ligands, forming a distorted octa-hedral geometry. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

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Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

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Bis(μ-1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene)bis-[bis-(thio-cyanato-κN)cadmium(II)].

Project description:The asymmetric unit of the binuclear title compound, [Cd(2)(NCS)(4)(C(24)H(20)N(6))(2)], contains one half-mol-ecule, consisting of one Cd(2+) cation, two half 1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene (L) ligands and two SCN(-) anions. The dimeric cyclic mol-ecule is completed by crystallographic inversion symmetry. The Cd(2+) cation is coordinated by two N atoms from two SCN(-) anions and four N atoms from two symmetry-related L ligands, exhibiting a distorted octrahedral coordination. A two-dimensional supra-molecular network stacked parallel to [210] is finally formed by linking these dimers through weak π-π stacking inter-actions between the pyridine rings and benzene rings of adjacent dimers, with a plane-to-plane distance of 3.36 (6) Å and a centroid-centroid distance of 3.67 (2) Å. One of the thio-cyanate S atoms is equally disordered over two positions.

| S-EPMC2983974 | biostudies-literature

Bis{2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))meth-yl]pyridine-?N}cobalt(II) dinitrate.

Project description:The central Co(II) ion in the title complex, [Co(C(16)H(19)N(5))(2)](NO(3))(2), is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. It is bonded to six N atoms from two 2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl)meth-yl]pyridine ligands. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3379192 | biostudies-literature

Aqua-(4-nitro-phthalato)bis-[2-(1H-pyrazol-3-yl)pyridine]-zinc(II) hemihydrate.

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octa-hedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyrid-yl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitro-phthalate ligand and one associated water mol-ecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyrid-yl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03?(1) and 0.35?(1)?Å] and the dihedral angle between the two planar 3-(2-pyrid-yl)-1H-pyrazole ligands is 67.31?(4)°. Inter-molecular ?-? stacking inter-actions between 3-(2-pyrid-yl)-1H-pyrazole ligands with a face-to-face separation of 3.64?(1)?Å are observed. Moreover, the crystal structure is stabilized by O-H?O and N-H?O hydrogen bonds between the water of crystallization, the associated water mol-ecule and the 3-(2-pyrid-yl)-1H-pyrazole ligands.

| S-EPMC3050407 | biostudies-literature

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