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[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

ABSTRACT: 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.

SUBMITTER: Wang YQ

PROVIDER: S-EPMC2970966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3050342 | biostudies-literature

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N'](methanol-κO)(nitrito-κO,O')cadmium(II) perchlorate.

Project description:In the title complex, [Cd(NO(2))(C(22)H(20)N(6))(CH(3)OH)]ClO(4), the Cd(II) ion is in a distorted penta-gonal-bipyramidal CdN(4)O(3) coordination geometry. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline ring system are 4.37 (19) and 5.84 (21)°. In the crystal, the anions and cations are connected by inter-molecular O-H⋯O hydrogen bonding, while pairs of weak inter-molecular C-H⋯O hydrogen bonds connect the cations into centrosymmetric dimers. In addition, there is a π-π stacking inter-action involving two symmetry-related benzene rings, with a centroid-centroid distance of 3.437 (3) Å.

| S-EPMC3051935 | biostudies-literature

Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N)-1,10-phenanthroline-?N,N']cadmium(II).

Project description:The asymmetric unit of the title compound, [CdCl(2)(C(17)H(14)N(4))], contains two independent mol-ecules in which the Cd(II) ions are in distorted trigonal-bipyramidal CdN(3)Cl(2) coordination environments. In the crystal structure, there is a ?-? stacking inter-action involving a pyridine ring and a symmetry-related benzene ring, with a centroid-centroid distance of 3.5088?(19)?Å.

| S-EPMC2979538 | biostudies-literature

(4,7-Diphenyl-1,10-phenanthroline-κN,N')dimethyl-bis-(thio-cyanato-κN)tin(IV).

Project description:In the title compound, [Sn(CH(3))(2)(NSC)(2)(C(24)H(16)N(2))], a 1:1 adduct of dimethyl-tin diisothio-cyanate with 4,7-diphenyl-1,10-phenanthroline, the Sn(IV) atom shows a slightly distorted octa-hedral SnC(2)N(4) coordination. The methyl groups are trans to each other in the octa-hedron surrounding the metal atom [C-Sn-C = 176.61 (12)°].

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Bis(2-chloro-1,10-phenanthroline-κN,N')(thio-cyanato-κN)zinc (2-chloro-1,10-phenanthroline-κN,N')tris-(thio-cyanato-κN)zincate.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.

| S-EPMC3274921 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-?N)-1,10-phenanthroline-?N,N']bis-(nitrito-?O,O')cadmium(II).

Project description:In the title complex, [Cd(NO(2))(2)(C(17)H(14)N(4))], the Cd(II) ion assumes a distorted monocapped octa-hedral coordination geometry defined by an N(3)O(4) donor set. The crystal structure is stabilized by ?-? stacking inter-actions [shortest centroid-centroid distance = 3.5537?(18)?Å].

| S-EPMC3007325 | biostudies-literature

Bis(1,10-phenanthroline-?N,N')bis-(thio-cyanato-?N)cadmium.

Project description:The title compound, [Cd(NCS)(2)(C(12)H(8)N(2))(2)], has been obtained from the decomposition reaction of dithio-oxamide in a dimethyl-formamide solution containing 1,10-phenanthroline (phen) and Cd(NO(3))(2)·4H(2)O. Its crystal structure is formed by monuclear Cd(II) entities in which the metal atom is sited on a twofold rotation axis. The Cd(II) atom is six-coordinated in the form of a distorted octa-hedron by two chelating phenanthroline mol-ecules and two thio-cyanate anions coordinated through their N atoms. In the crystal, C-H?N hydrogen bonds are established between the phenanthroline and thio-cyanate ligands of neighbouring complexes.

| S-EPMC3120395 | biostudies-literature

Di-n-butyl-bis-(thio-cyanato-κN)(1,10-phenanthroline-κN,N')tin(IV).

Project description:In the asymmetric unit of the title compound, [Sn(C(4)H(9))(2)(NCS)(2)(C(12)H(8)N(2))], there are two independent mol-ecules, both lying on a twofold rotation axis. The axis passes through the mid-point of the 1,10 and 5,6 bonds of the N-heterocycle and through the Sn atom. The Sn atoms show a slightly distorted SnC(2)N(4) octa-hedral coordination.

| S-EPMC3051678 | biostudies-literature

(2,9-Dieth-oxy-1,10-phenanthroline-κN,N')bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(16)H(16)N(2)O(2))], the Co(II) ion is coordinated by two N atoms from one 2,9-dieth-oxy-1,10-phenanthroline ligand and two N atoms from two different thio-cyanate ligands in a distorted tetra-hedral environment. The Co-N bonds involving the thio-cyanate ligands are significantly shorter than the other two Co-N bonds. The atoms of one of the eth-oxy groups are essentially coplanar with the phenanthroline ring [N=C-O-C = 178.8 (4)°], while the other eth-oxy group is slightly twisted from the phenanthroline ring plane [N=C-O-C = 167.2 (4)°]. In the crystal structure, there is a weak π-π stacking inter-action between two symmetry-related phenanthroline rings with a centroid-centroid distance of 3.706 (4) Å.

| S-EPMC2959597 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thio-cyanato-κN:S].

Project description:In the title complex, [Cu(NCS)(C(12)H(8)N(2))](n), the Cu(I) ion is in a distorted tetra-hedral CuN(3)S coordination geometry. The thio-cyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the Cu(I) ion, the thio-cyanate ligand and the middle of the phenanthroline ligand.

| S-EPMC2983214 | biostudies-literature

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