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Catena-Poly[copper(I)-di-?-bromido-copper(I)-bis-[?-4-methyl-1H-1,2,4-triazole-5(4H)-thione-?(2)S:S]].

ABSTRACT: In the title coordination polymer, [CuBr(C(3)H(5)N(3)S)](n), the Cu(I) atom adopts a tetra-hdral CuS(2)Br(2) coordination geometry arising from two S-bonded 4-methyl-1H-1,2,4-triazole-3(4H)-thione ligands and two bromide ions. Both the S and Br atoms act as bridging ligands, connecting pairs of Cu(I) atoms and generating chains propagating in [100]. Inter-chain N-H?N hydrogen bonds generate layers in the ac plane. Weak intra-chain N-H?Br inter-actions also occur.

SUBMITTER: Saithong S

PROVIDER: S-EPMC3344317 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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Poly[tetra-aqua-?(3)-benzene-1,2-di-carboxyl-ato-?(3)-bromido-penta-?(2)-bromido-octa-?(3)-isonicotinato-hepta-copper(I)trilanthanum(III)].

Project description:A new lanthanum(III)-copper(I) heterometallic coordination polymer, [Cu(7)La(3)Br(6)(C(6)H(4)NO(2))(8)(C(8)H(4)O(4))(H(2)O)(4)](n), has been prepared by a hydro-thermal method. Of the three La atoms in the asymmetric unit, two are eight-coordinate with bicapped trigonal-prismatic configurations; the third is nine-coordinated and has a tricapped trigonal-prismatic coordination geometry. Of the seven Cu atoms, two are two-coordinate with CuBrN and CuN(2) ligand sets, three have trigonal configurations, viz. CuBrN(2), CuBr(2)N and CuBr(3), while the remaining two adopt distorted tetra-hedral CuBr(3)N geometries. In the crystal structure, adjacent La centers are linked by isonicotinate (IN(-)) and benzene-1,2-dicarboxyl-ate ligands to form a two-dimensional La-carboxyl-ate layer in the ab plane. These layers are further inter-connected with each other by bridging [Cu(IN)(2)] motifs, leading to an unusual three-dimensional heterometallic Cu-halide-lanthanide-organic framework, with the inorganic [Cu(6)Br(6)](n) chains located in the resulting channels. Two Cu atoms are disordered over two positions, both with site occupancy factors of 0.80 and 0.20. O-H?O hydrogen bonding between water molecules and carboxylate O atoms helps to consolidate the crystal packing.

1000-01-01 | S-EPMC2977598 | BioStudies

Poly[tetra-aqua-?(4)-bromido-di-?(2)-bromido-?(2)-hydroxido-di-?(3)-iso-nicotinato-tetra-?(2)-isonicotinato-tetra-copper(I)dithulium(III)].

Project description:A new thulium(III)-copper(I) heterometallic coordination polymer, [Cu(4)Tm(2)Br(3)(C(6)H(4)NO(2))(6)(OH)(H(2)O)(4)](n), has been prepared by a hydro-thermal method. The Tm and both Cu atoms lie on mirror planes. The Tm atom is seven-coordinate with a capped distorted trigonal-prismatic coordination geometry, while the Cu atoms adopt trigonal CuBrN(2) and tetra-hedral CuBr(3)N coordination modes, respectively. The Cu atom in the trigonal coordination environment is disordered over two sites of equal occupancy. The crystal structure is constructed from two distinct units of dimeric [Tm(2)(?(2)-OH(IN)(6)(H(2)O)(4)] cores (IN = isonicotinate) and one-dimensional inorganic [Cu(4)Br(3)](n) chains, which are linked together, forming heterometallic Cu-halide-lanthanide-organic layers.

2008-01-01 | S-EPMC2959303 | BioStudies

Bromidobis[3-(1H-pyrazol-1-yl-?N(2))propionamide-?O]copper(II) bromide methanol monosolvate.

Project description:The title copper(II) N-pyrazolylpropanamide (PPA) complex, [CuBr(PPA)(2)]Br, was obtained in 78% yield by treatment of CuBr(2) with an excess of the ligand in methanol. Crystallization from the mother liquid afforded the title compound, i.e. the methanol solvate [CuBr(C(6)H(9)N(3)O)(2)]Br·CH(3)OH or [CuBr(PPA)(2)]Br·MeOH, as bright green crystals. In the solid state, the title salt comprises isolated [CuBr(PPA)(2)](+) cations, separated bromide ions and methanol of crystallization. In the cation, the central Cu(II) ion is coordinated by two N,O-chelating PPA ligands and one Br(-) ion. The coordination geometry around the Cu(II) ion is distorted trigonal-bipyramidal with the bromide ligand and the amide O atoms occupying the equatorial positions [Cu-Br = 2.4443?(4)?Å; Cu-O = 2.035?(2) and 2.179?(2)?Å], while the pyrazole N atoms coordinate in the axial positions [Cu-N = 1.975?(2) and 1.976?(2)?Å]. In the crystal, the three constituents are linked by N-H?Br, O-H?Br, and N-H?O hydrogen bonds, forming a three-dimensional network.

2012-01-01 | S-EPMC3470141 | BioStudies

Bromidobis(N,N'-diphenyl-thio-urea-?S)copper(I) monohydrate.

Project description:In the title compound, [CuBr(C(13)H(12)N(2)S)(2)]·H(2)O, the Cu(I) atom adopts a slightly distorted trigonal-planar coordination arising from two S atoms of two diphenyl-thio-urea ligands and a bromide ion. There are two intra-molecular N-H?Br hydrogen bonds completing twisted six-membered rings with R(6) motifs. The dihedral angles between the aromatic rings in the ligands are 62.11?(13) and 85.73?(13)°. In the crystal, components are linked by N-H?O, O-H?S and O-H?? inter-actions. There also exist ?-? inter-actions with a distance of 3.876?(2)?Å between the centroids of benzene rings of two different ligands. Together, the inter-molecular inter-actions lead to a three-dimensional network.

1000-01-01 | S-EPMC2977283 | BioStudies

catena-Poly[[(triphenyl-phosphane-?P)copper(I)]-di-?-bromido-[(triphenyl-phos-phane-?P)copper(I)]-?-1,3-bis(pyridin-4-yl)-propane-?N:N'].

Project description:Through a diffusion reaction, cuprous bromide, triphenyl-phosphane and 1,3-bis-(pyridin-4-yl)propane (bpp) were self-assembled to form the one-dimensional title compound, [Cu(2)Br(2)(C(13)H(14)N(2))(C(18)H(15)P)(2)](n). Each Cu(I) atom is coordinated by two Br atoms, one P atom from a triphenyl-phosphane ligand and one N atom from a bpp mol-ecule in a distorted tetra-hedral geometry. Two ?(2)-Br bridges connect two [Cu(PPh(3))](+) units to form neutral [CuBr(PPh(3))](2) dimers, which are linked by the flexible bridging bpp ligands to form a one-dimensional chain structure parallel to the c axis. The dihedral angle between the pyridine rings of the bpp ligand is 34.59?(14)°.

1000-01-01 | S-EPMC3297220 | BioStudies

Bromidotetra-kis-(2-ethyl-1H-imidazole-?N (3))copper(II) bromide.

Project description:The Cu(II) ion in the title mol-ecular salt, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by N-H?Br hydrogen bonds involving both the coordinating and the free bromide species as acceptors. A C-H?Br inter-action is also observed. Overall, a three-dimensional network results.

1000-01-01 | S-EPMC3588773 | BioStudies

[Bis(quinolin-2-ylcarbon-yl)amido-?(3) N,N',N'']bromido-(N,N-di-methyl-formamide-?O)copper(II).

Project description:In the mononuclear title complex, [CuBr(C20H12N3O2)(C3H7NO)], synthesized from the quinoline-derived reduced Schiff base 4-(quinolin-2-ylmeth-yl)amino-phenol, the coordination geometry around Cu(2+) is distorted square-pyramidal, comprising a bromide anion at the apex [Cu-Br = 2.4671?(5)?Å]. The base of the pyramid is built up from one di-methyl-formamide O-atom donor [Cu-O = 2.078?(2)?Å] and three N-atom donors from the monoanionic, tridentate bis-(quinolin-2-ylcarbon-yl)di-imide ligand [Cu-Ndi-imide = 1.941?(3)?Å, and Cu-Nquinol-yl = 2.060?(3) and 2.049?(3)?Å]. An intra-molecular C-H?O occurs. In the crystal, weak methyl and aromatic C-H?Br and formyl C-H?Ocarbon-yl hydrogen-bonding inter-actions generate an overall layered structure lying parallel to (001).

1000-01-01 | S-EPMC4051018 | BioStudies

Hexa-?(2)-bromido-?(4)-oxo-tetra-kis[(nicotine)copper(II)].

Project description:In the title compound, hexa-?(2)-bromido-?(4)-oxo-tetra-kis{[3-(1-methyl-2-pyrrolidin-yl)pyridine-?N]copper(II)}, [Cu(4)Br(6)O(C(10)H(14)N(2))(4)], the four Cu atoms are tetra-hedrally arranged around the O atom at the cluster center. The Cu and coordinated N atoms lie along directions which correspond to four of the eight threefold axial directions of a regular octa-hedron. Each Cu atom lies at the center of a trigonal bipyramid, with the O atom and the pyridine N atom of a nicotine ligand in the axial positions and three Br atoms in the equatorial positions. Average bond distances are: Cu-N = 1.979?(8), Cu-O = 1.931?(6), Cu-Br = 2.514?(14) and Cu?Cu = 3.154?(6)?ÅÅ. The configuration of the nicotine ligands is that of the trans diastereomer. In addition, the crystal structure contains five intra-molecular C-H?Br hydrogen bonds, which determine (or support) the orientation of the nicotine mol-ecules relative to their three equatorial Br atoms. One of the nicotine mol-ecules has two C-H?Br contacts, while the other three nicotine mol-ecules show only one C-H?Br bond each. Two other inter-molecular C-H?Br hydrogen bonds connect the complex mol-ecules, forming ribbons which extend in the b- and c-axis directions.

1000-01-01 | S-EPMC2961882 | BioStudies

Poly[[?(2)-1,2-bis-(4-pyrid-yl)ethene-?N:N']-di-?(3)-bromido-dicopper(I)].

Project description:In the title polymeric Cu(I) compound, [Cu(2)Br(2)(C(12)H(10)N(2))](n), the Cu cation is coordinated by an N atom from the 1,2-bis-(4-pyrid-yl)ethene ligand and three Br(-) anions in a distorted tetra-hedral CuBr(3)N coordination geometry. Each Br(-) anion bridges three Cu cations related by inversion centers, forming a stair-like polymeric chain along the a axis, and the terminal N atoms of the 1,2-bis-(4-pyrid-yl)ethene ligand, located across an inversion center, coordinate the Cu cations from neighboring chains, forming polymeric sheets.

1000-01-01 | S-EPMC3007837 | BioStudies

Bromido{N-methyl-N'-[1-(2-pyrid-yl)ethyl-idene]ethane-1,2-diamine-?N,N',N''}-(thio-cyanato-?N)-copper(II).

Project description:In the title mononuclear copper(II) compound, [CuBr(NCS)(C(10)H(15)N(3))], the Cu(II) atom is five-coordinated by three N atoms of the Schiff base ligand, the N atom of a thio-cyanate ligand and by one bromide ion forming a distorted square-pyramidal geometry. In the crystal structure, mol-ecules are linked through inter-molecular N-H?Br hydrogen bonds into chains propagating along [101].

2010-01-01 | S-EPMC3007341 | BioStudies

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