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Bis[4-(4-methoxy-phen-yl)-4H-1,2,4-triazole-?N]bis-(thio-cyanato-?N)zinc(II).

ABSTRACT: In the title complex, [Zn(NCS)(2)(C(9)H(9)N(3)O)(2)], the Zn(II) ion is coordinated by two N atoms from the NCS(-) anions and two N atoms from two 4-(4-methoxy-phen-yl)-4H-1,2,4-triazole ligands in a slightly distorted tetra-hedral geometry. Three inter-molecular weak hydrogen-bonding contacts of the types C-H?N, C-H?S and C-H?O are observed in the crystal structure.

SUBMITTER: Zuo Y

PROVIDER: S-EPMC2961330 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Bis[4-(4-methoxy-phen-yl)-4H-1,2,4-triazole-κN]bis-(thio-cyanato-κN)zinc(II).

Zuo Ya Y

Acta crystallographica. Section E, Structure reports online 20080402 Pt 5

In the title complex, [Zn(NCS)(2)(C(9)H(9)N(3)O)(2)], the Zn(II) ion is coordinated by two N atoms from the NCS(-) anions and two N atoms from two 4-(4-methoxy-phen-yl)-4H-1,2,4-triazole ligands in a slightly distorted tetra-hedral geometry. Three inter-molecular weak hydrogen-bonding contacts of the types C-H⋯N, C-H⋯S and C-H⋯O are observed in the crystal structure. ...[more]

PMID: 21202168

Similar Datasets

Bis(?-3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N:N)bis-[bis-(thio-cyanato-?N)zinc]-bis-(3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N)bis-(thio-cyanato-?N)zinc (1/2).

Project description:In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra-hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(-) ligands. In (Ia), double N(1):N(2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N(1)-coordination modes. Weak N-H?N, N-H?S and C-H?S hydrogen bonds play an important role in the inter-molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57?(3):0.43?(3) and 0.63?(3):0.37?(3), respectively.

| S-EPMC3212172 | biostudies-literature

Bis{2-methoxy-6-[(4-methyl-phen-yl)iminiometh-yl]-phenolato-κO}bis-(thio-cyanato-κN)zinc(II).

Project description:The Schiff base 2-[(4-methyl-phen-yl)imino-meth-yl]-6-methoxy-phenol (HL) forms a complex with a Zn(2+) atom and two independent thio-cyanate ions, [Zn(NCS)(2)(C(15)H(15)NO(2))(2)], in which two phenolate O atoms the two independent Schiff base ligands are coordinated to thee Zn(2+) atom. The protonated imine N atoms are involved in an intramolecular hydrogen bond with the phenoxide group. The Zn atom is also coordinated by two N atoms of two thio-cyanate ligands. The coordination environment of the Zn atom is distorted-tetra-hedral.

| S-EPMC2959850 | biostudies-literature

Di-μ-aqua-bis-[diaqua-bis(thio-cyanato-κN)iron(II)] 4-(4-chloro-phen-yl)-1,2,4-triazole hexa-solvate.

Project description:The title complex, [Fe(2)(NCS)(4)(H(2)O)(6)]·6C(8)H(6)ClN(3), comprises two distorted octa-hedral iron(II) centers straddling a crystallographic inversion center and bridged by two aqua O atoms to form a quadrilateral core. The aqua O atom of the core is involved in hydrogen bonds with the triazole N atoms of the solvent mol-ecules, generating one-dimensional ladder motifs, and three inter-molecular C-H⋯S hydrogen bonds, forming a three-dimensional hydrogen-bonding network.

| S-EPMC2961922 | biostudies-literature

Bis(3-methyl-pyridine-κN)bis-(thio-cyanato-κN)zinc.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(2)(C(6)H(7)N)(2)], consists of one Zn(2+) cation and two thio-cyanate anions, all situated on special positions with site symmetry .m., and one 3-methyl-pyridine ligand. The zinc cation is coordinated by four N atoms of two terminal N-bonded thio-cyanate anions and of two symmetry-related 3-methyl-pyridine co-ligands, defining a slightly distorted tetra-hedral coordination polyhedron.

| S-EPMC3151950 | biostudies-literature

Bis(2-amino-benzothia-zole-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:The Zn(II) ion in the title complex, [Zn(NCS)(2)(C(7)H(6)N(2)S)(2)], is tetra-hedrally coordinated within an N(4) donor set defined by two N atoms of two terminal isothio-cyanate ligands and by two heterocyclic N atoms of two different 2-amino-benzothia-zole ligands. This arrangement is stabilized by intra-molecular N-H⋯N hydrogen bonds. In the crystal structure, mol-ecules are linked through N-H⋯S hydrogen bonds to form a two-dimensional array.

| S-EPMC2969946 | biostudies-literature

Bis[3-ethyl-4-(4-methoxy-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]bis-(perchlorato-κO)copper(II) acetonitrile disolvate.

Project description:In the title compound, [Cu(ClO(4))(2)(C(16)H(16)N(4)O)(2)]·2CH(3)CN, the Cu(II) atom, located on an inversion center, is in a tetra-gonally distorted octa-hedral environment, coordinated by four N atoms of two bidentate 3-ethyl-4-(4-methoxy-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole ligands in equatorial positions and by the O atoms of two perchlorate groups in axial positions. The long axial Cu-O bond of 2.4743 (17) Å is the result of the Jahn-Teller effect.

| S-EPMC2961222 | biostudies-literature

Bis(cyanato-κN)bis-(5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine-κN)zinc.

Project description:In the title complex, [Zn(NCO)(2)(C(7)H(8)N(4))(2)], the Zn(II) ion exhibits a distorted tetra-hedral coordination geometry. The coordination environment is formed by two 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine (dmtp) ligands, coordinated through the N atom in position 3, and two cyanate anions inter-acting by their N atoms. Supra-molecular dimers are generated by stacking inter-actions between the pyrimidine rings of two ligands related by an inversion center [centroid-centroid distance = 3.5444 (18) Å].

| S-EPMC3052141 | biostudies-literature

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

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

Bis[(1S,1'S)-1,1'-(4-amino-4H-1,2,4-triazole-3,5-di-yl)diethanol-κN]bis-(nitrato-κO)zinc.

Project description:In the title homochiral mononuclear compound, [Zn(NO(3))(2)(C(6)H(12)N(4)O(2))(2)], the Zn(II) atom is located on a twofold rotation axis and coordinated by two N atoms from two ligands and two O atoms from two NO(3) (-) anions, adopting a distorted tetra-hedral coordination geometry. The compound is enanti-omerically pure and corresponds to the S diastereoisomer, with the optical activity originating from the chiral ligand. In the crystal, mol-ecules are connected into three-dimensional supra-molecular networks through O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

| S-EPMC3274914 | biostudies-literature

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