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Dichloridotetra-kis-(1H-1,2,4-triazole-?N(4))copper(II).

ABSTRACT: The central Cu(II) atom of the molecular title complex, [CuCl(2)(C(2)H(3)N(3))(4)], is situated on a site with symmetry 2.22. It is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four N atoms of four 1,2,4-triazole ligands and the axial positions occupied by two Cl atoms situated on a twofold axis. The mol-ecules are connected via N-H?Cl hydrogen bonds and the crystal consists of two inter-penetrating three-dimensional hydrogen-bonded frameworks.

SUBMITTER: Vidmar M

PROVIDER: S-EPMC3343794 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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Dichloridotetra-kis-(1H-1,2,4-triazole-κN(4))copper(II).

Vidmar Maja M Kobal Tatjana T Kozlevčar Bojan B Segedin Primož P Golobič Amalija A

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

The central Cu(II) atom of the molecular title complex, [CuCl(2)(C(2)H(3)N(3))(4)], is situated on a site with symmetry 2.22. It is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four N atoms of four 1,2,4-triazole ligands and the axial positions occupied by two Cl atoms situated on a twofold axis. The mol-ecules are connected via N-H⋯Cl hydrogen bonds and the crystal consists of two inter-penetrating three-dimensional hydrogen-bonded frameworks. ...[more]

PMID: 22589768

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Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

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Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:In the title complex, [Cu(C(3)H(2)N(3)O(2))(NO(3))(C(12)H(8)N(2))], the Cu(II) ion is coordinated by an N and an O atom from a bidentate 1H-1,2,4-triazole-3-carboxyl-ate (TRIA) ligand, two N atoms from a 1,10-phenanthroline (phen) ligand, and an O atom from a nitrate ligand in a slightly distorted square-pyramidal environment. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into one-dimensional chains propagating along the b axis direction.

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Poly[dichloridobis[?-1-(4-pyridylmeth-yl)-1H-1,2,4-triazole]copper(II)].

Project description:The title coordination polymer, [CuCl(2)(C(8)H(8)N(4))(2)](n), arose from a layer-separated diffusion synthesis at room temperature. The Cu atom (site symmetry ) is coordinated by two chloride ions and four N atoms (two from triazole rings and two from pyridyl rings) in a distorted trans-CuCl(2)N(4) octa-hedral arrangement. The bridging 1-(4-pyridylmeth-yl)-1H-1,2,4-triazole ligands [dihedral angle between the triazole and pyridine rings = 68.08?(8)°] result in a two-dimensional 4(4) sheet structure in the crystal.

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Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:The title complex, [Cu(C(3)H(2)N(3)O(2))Cl(C(12)H(8)N(2))], crystallizes with two independent mol-ecules in the asymmetric unit. Each Cu(II) atom is coordinated by an N atom and an O atom from the bidentate 1H-1,2,4-triazole-3-carboxyl-ate ligand, two N atoms from the 1,10-phenanthroline ligand, and the Cl atom. The coordination geometry is based on a ClN(3)O square pyramid. In the crystal structure, the mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds.

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Dichloridotetra-kis-(diniconazole)cobalt(II).

Project description:In the crystal structure of the title compound, [CoCl(2)(C(15)H(17)Cl(2)N(3)O)(4)], the Co(II) cation lies on an inversion center and has a slightly distorted octa-hedral coordination geometry. The equatorial positions are occupied by four N atoms from four diniconazole [systematic name: (E)-(RS)-1-(2,4-dichloro-phen-yl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol] ligands. The axial sites are occupied by two Cl(-) anions. In the two independent organic ligands, the triazole ring is oriented at dihedral angles of 18.28?(14) and 32.15?(14)° with respect to the dichloro-phenyl ring. Inter-molecular O-H?Cl hydrogen bonds consolidate the crystal packing.

| S-EPMC3200721 | biostudies-literature

Dichloridotetra-kis-(diniconazole)nickel(II).

Project description:In the title compound, [NiCl(2)(C(15)H(17)Cl(2)N(3)O)(4)], the Ni atom lies on an inversion center and has an axially extended trans-NiCl(2)N(4) octa-hedral geometry arising from its coordination by four diniconazole [systematic name: (E)-(RS)-1-(2,4-dichloro-phen-yl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol] ligands and two chloride ions. In the crystal, O-H⋯Cl hydrogen bonds link the mol-ecules into [100] chains.

| S-EPMC3200933 | biostudies-literature

A new copper(II) complex based on 1-[(1H-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole.

Project description:The title complex, tetra-aqua-{1-[(1H-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole-?N(4)}(sulfato-?O)copper(II) sesquihydrate, [Cu(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·1.5H(2)O, is composed of one copper atom, one 1-[(2H-benzotriazol-1-yl)meth-yl]-1-H-1,2,4-triazole (bmt) ligand, one sulfate ligand, four coordin-ated water mol-ecules and one and a half uncoordinated water mol-ecules. The Cu(II) atom is six-coordinated by one N atom from a bmt ligand and five O atoms from the monodentate sulfate ligand and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, adjacent mol-ecules are linked through O-H?O and O-H?N hydrogen bonds involving the sulfate anion and the coordin-ated and uncoordinated water mol-ecules into a three-dimensional network.

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Dibromidotetra-kis(1H-indazole-?N)copper(II).

Project description:The Cu atom in the title compound, [CuBr(2)(C(7)H(6)N(2))(4)], is surrounded by four N-heterocycles that define an N(4) square-planar geometry. The coordination geometry is distorted towards an elongated octa-hedron owing to the presence of the two Br(-) anions, which are located at about 3?Å above and below the square plane. There are two independent molecules in the asymmetric unit, each with their Cu atom lying on an inversion centre.

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Diaqua-bis(1H-1,2,4-triazole-3-carboxyl-ato)cadmium(II).

Project description:In the title complex, [Cd(C(3)H(2)N(3)O(2))(2)(H(2)O)(2)], the Cd(II) atom is coordinated by two N and two O atoms from two deprotonated 1H-1,2,4-triazole-3-carboxylic acid ligands (TRIA) and two water mol-ecules. The Cd atom is located on an inversion centre. In the crystal structure, mol-ecules are linked together via O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

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Bis(nitrato-?O)tetra-kis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one]copper(II).

Project description:In the title complex, [Cu(NO(3))(2)(C(11)H(11)N(3)O)(4)], the Cu(II) atom is situated on a centre of inversion and is coordinated by two O atoms from two nitrate anions and four N atoms from four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Weak inter-molecular C-H?O and C-H?N hydrogen bonds result in a supra-molecular layer parallel to (101). These layers are connected by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.891?(2)?Å].

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