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Di-?-chlorido-bis-[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)].

ABSTRACT: The title neutral copper complex, [Cu(2)Cl(4)(C(8)H(17)N(3)O(2))(2)], shows a binuclear center with a Cu-(?-Cl)(2)-Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4-diazepine (meaaz-NO(2)) and three chloride exogenous ligands. Each metal ion is facially coordinated by meaaz-NO(2) through N,N,O donor atoms, whereas two bridging and one terminal chloride ions occupy the other face of the highly Jahn-Teller-distorted octa-hedron. Two N atoms from tertiary amine groups of the meaaz-NO(2) ligand and two exogenous Cl atoms with short Cu-N and Cu-Cl distances define the equatorial plane. The coordination around each Cu(II) ion is completed by another Cl atom and an O atom from the NO(2) group, in the axial positions. The binuclear complex exhibits a centrosymmetric structure with point symmetry .

SUBMITTER: Bortoluzzi AJ

PROVIDER: S-EPMC2968152 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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Di-μ-chlorido-bis-[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)].

Bortoluzzi Adailton J AJ Neves Ademir A Peralta Rosely A RA Camargo Tiago P TP Weiss Vitor C VC

Acta crystallographica. Section E, Structure reports online 20090108 Pt 2

The title neutral copper complex, [Cu(2)Cl(4)(C(8)H(17)N(3)O(2))(2)], shows a binuclear center with a Cu-(μ-Cl)(2)-Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4-diazepine (meaaz-NO(2)) and three chloride exogenous ligands. Each metal ion is facially coordinated by meaaz-NO(2) through N,N,O donor atoms, whereas two bridging and one terminal chloride ions occupy the other face of the highly Jahn-Teller-distorted octa- ...[more]

PMID: 21581759

Similar Datasets

Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis-(di-?-chlorido-bis[(4-carboxypyridine-2-carboxyl-ato-?2N,O2)chlorido-cuprate(II)].

Project description:Crystals of a new dimeric chloride-bridged cuprate(II) derived from pyridine-2,4-di-carb-oxy-lic acid were obtained solvothermally in the presence of piperazine and hydro-chloric acid. The crystal structure determination of the title salt, (C4H12N2)[Cu2(C7H4NO4)2Cl4], revealed one of the carboxyl groups of the original pyridine-2,4-di-carb-oxy-lic acid ligand to be protonated, whereas the other is deprotonated and binds together with the pyridine N atom to the CuII atom. The coordination environment of the CuII atom is distorted square-pyramidal. One of the chloride ligands bridges two metal cations to form a centrosymmetric dimer with two different Cu-Cl distances of 2.2632?(8) and 2.7853?(8)?Å, whereby the longer distance is associated with the apical ligand. The remaining chloride ligand is terminal at one of the basal positions, with a distance of 2.2272?(9)?Å. In the crystal, the dimers are linked by inter-molecular O-H?O hydrogen bonds, together with N-H?O and N-H?Cl inter-actions involving the centrosymmetric organic cation, into a three-dimensional supra-molecular network. Further but weaker C-H?O and C-H?Cl inter-actions consolidate the packing.

| S-EPMC5290575 | biostudies-literature

Crystal structure of di-chlorido-bis-(methyl isonicotinate-κN)copper(II).

Project description:In the title compound, [CuCl2(C7H7NO2)2], the square-planar-coordinated Cu(II) ion lies on a centre of symmetry and is bonded to two monodentate methyl-isonicotinate ligands through their N atoms and by two chloride ligands. The mol-ecules pack in a herringbone pattern. Perpendicular to [100] there are weak inter-molecular C-H⋯Cl and C-H⋯O contacts. Along [100] there are infinite chains of edge-sharing octa-hedra linked through the chlorido ligands.

| S-EPMC4420097 | biostudies-literature

Crystal structure of di-?-chlorido-bis-[chlorido-bis-(1,2-dimethyl-5-nitro-1H-imidazole-?N3)copper(II)] acetonitrile disolvate.

Project description:1,2-Dimethyl-5-nitro-imidazole (dimetridazole, dimet) is a compound that belongs to a class of nitro-imidazole drugs that are effective at inhibiting the activity of certain parasites and bacteria. However, there are few reports that describe structures of compounds that feature metals complexed by dimet. Therefore, we report here that dimet reacts with CuCl2·H2O to yield a chloride-bridged copper(II) dimer, [Cu2Cl4(C5H7N3O2)4] or [Cu(?-Cl)Cl(dimet)2]2. In this mol-ecule, the CuII ions are coordinated in an approximately trigonal-bipyramidal manner, and the mol-ecule lies across an inversion center. The dihedral angle between the imidazole rings in the asymmetric unit is 4.28?(7)°. Compared to metronidazole, dimetridazole lacks the hy-droxy-ethyl group, and thus cannot form inter-molecular O?H hydrogen-bonding inter-actions. Instead, [Cu(?-Cl)Cl(dimet)2]2 exhibits weak inter-molecular inter-actions between the hydrogen atoms of C-H groups and (i) oxygen in the nitro groups, and (ii) the terminal and bridging chloride ligands. The unit cell contains four disordered aceto-nitrile mol-ecules. These were modeled as providing a diffuse contribution to the overall scattering by SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18], which identified two voids, each with a volume of 163?Å3 and a count of 46 electrons, indicative of a total of four aceto-nitrile mol-ecules. These aceto-nitrile mol-ecules are included in the chemical formula to give the expected calculated density and F(000).

| S-EPMC5095849 | biostudies-other

Di-?-chlorido-bis-[(1,10-phenanthroline-?N,N')(trichloro-acetato-?O)copper(II)].

Project description:The title compound, [Cu(2)(C(2)Cl(3)O(2))(2)Cl(2)(C(12)H(8)N(2))(2)], features a centrosymmetric binuclear complex. The coordination geometry around the Cu(II) atom is square-pyramidal, comprising two N atoms from a symmetrically chelating 1,10-phenanthroline ligand, one O atom from a trichloro-acetate ligand and two Cl(-) anions. In addition, there is a weak intra-molecular Cu?O inter-action of 2.9403?(14)?Å involving the carbonyl O atom of the trichloro-acetate ligand. The central Cu(2)Cl(2) core takes the form of a rhombus, owing to the disparate Cu-Cl bond lengths. Mol-ecules are connected in the crystal structure by C-H?Cl and C-H?O inter-actions.

| S-EPMC3297214 | biostudies-literature

Di-?-chlorido-bis-{[2-(8-quinol-yloxy)-acetato-?N,O,O]copper(II)}.

Project description:The title compound, [Cu(2)(C(11)H(8)NO(3))(2)Cl(2)], is a bicopper(II) complex. Each Cu(II) ion is five-coordinated by two O atoms and one N atom from the (8-quinol-yloxy)acetate ligand, and by two ?(2)-chloride ligands, thus exhibiting a distorted square-pyramidal CuCl(2)NO(2) coordination environment. Each (8-quinol-yloxy)acetate anion acts as a tridentate chelating ligand. In the crystal structure, adjacent quinolyl rings are involved in strong ?-? stacking inter-actions, with inter-planar distances of 3.549?(5) and 3.763?(5)?Å, thereby forming a two-dimensional planar network perpendicular to the ab plane. Furthermore, a weak inter-action [2.750?(4)?Å] is observed within these planes between one Cu(II) ion and a carboxyl-ate O atom from a ligand in an adjacent mol-ecule, which also contributes to the stability of the structure.

| S-EPMC2959508 | biostudies-literature

Di-μ-chlorido-bis-{chlorido[4-nitro-N-(pyridin-2-yl-methyl-idene-κN)aniline-κN]mercury(II)}.

Project description:In the centrosymmetric dinuclear title complex, [Hg(2)Cl(4)(C(12)H(9)N(3)O(2))(2)], the Hg(II) ion is in a distorted square-pyramidal coordination environment formed by the N atoms of the diimine ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg-Cl bonds is significantly longer than the other.

| S-EPMC3051965 | biostudies-literature

Di-?-chlorido-bis-[chlorido(dimethoxy-phenyl-phosphine)palladium(II)].

Project description:The title compound, [Pd(2)Cl(4)(C(8)H(11)O(2)P)(2)], is binuclear and disposed about a crystallographic centre of symmetry with a Pd?Pd distance of 3.4662?(17)?Å. It has a similar geometry to that observed in the triphenyl-phosphite and triphenyl-phosphine analogues. The Pd-P bond length is ca 0.04?Å shorter than those in mononuclear PdCl(2)(P(OMe)(2)Ph)(2), possibly due to the lower trans-influence of the bridging Cl(-) compared to a single-bonded Cl(-) atom.

| S-EPMC2979266 | biostudies-literature

Di-?-chlorido-bis-{aqua-chlorido[2,2'-thio-bis(pyridine N-oxide)-?O]copper(II)}.

Project description:The crystal structure of the title compound, [Cu(2)Cl(4)(C(10)H(8)N(2)O(2)S)(2)(H(2)O)(2)], comprises neutral centrosymmetric ?-chloride-bridged dinuclear units. Each Cu(II) ion is penta-coordinated by three chloride ligands, a pyridine N-oxide O atom and a water mol-ecule. Intra- and inter-molecular O-H?O hydrogen bonds occur between the coordinated water mol-ecules and the uncoordinated and coordinated pyridine N-oxide groups of the 2,2'-thio-bis(pyridine N-oxide) ligands, respectively.

| S-EPMC2968806 | biostudies-other

Poly[[diaqua-tetra-kis-(μ(2)-benzene-1,4-di-carbonitrile-κN:N')iron(II)] bis-[tetra-chlorido-ferrate(III)] nitro-methane tetra-solvate].

Project description:In the title compound, {[Fe(II)(C(8)H(4)N(2))(2)(H(2)O)(2)][Fe(III)Cl(4)](2)·4CH(3)NO(2)}(n), the Fe(II) and Fe(III) ions are hexa- and tetra-coordinated, respectively. Each unique benzene-1,4-dicarbonitrile mol-ecule lies across a crystallographic inversion centre and bridges two Fe(II) ions (each situated on an inversion centre), generating two-dimensional (4,4) square grid layers. The tetra-chloridoferrate(III) anions and nitro-methane solvent mol-ecules lie between the square grid layers and are further link to the adjacent layers into a three-dimensional supra-molecular structure through O-H⋯Cl and O-H⋯O hydrogen bonds.

| S-EPMC3274928 | biostudies-literature

Di-μ-chlorido-bis-(chlorido{2,2'-[3-(1H-imidazol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide}copper(II)).

Project description:The centrosymmetric dinuclear Cu(II) complex, [Cu(2)Cl(4)(C(24)H(21)N(5)O(4))(2)], was synthesized by the reaction of CuCl(2)·2H(2)O with the tripodal ligand 2,2'-[3-(1H-imid-azol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide (L). Each of the Cu(II) ions is coordinated by two N atoms from the ligand, two bridging Cl atoms and one terminal Cl atom. The Cu(II) coordination can be best be described as a transition state between four- and five-coordination, since one of the bridging Cl atoms has a much longer Cu-Cl bond distance [2.7069 (13) Å] than the other [2.2630 (12) Å]. In addition, the Cu⋯Cu distance is 3.622 (1) Å. The three-dimensional structrure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds and π-π inter-actions [centroid-centroid distances = 3.658 (4) and 4.020 (4) Å].

| S-EPMC2971966 | biostudies-literature

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