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Diaqua-bromido-copper(II)-18-crown-6-water (1/1/2).

ABSTRACT: In the title compound, [CuBr(2)(H(2)O)(2)]·C(12)H(24)O(6)·2H(2)O, the Cu(II) atom, which is situated on an inversion centre and has a slightly distorted square-planar geometry, and the two coordinated water mol-ecules are linked to the 18-crown-6 macrocycles by O-H?O hydrogen bonds. The water mol-ecule of crystallization further links the metal complex and the crown ether macrocycles into a chain along the c axis.

SUBMITTER: Wang B

PROVIDER: S-EPMC3006861 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Diaqua-bromido-copper(II)-18-crown-6-water (1/1/2).

Wang Bo B

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

In the title compound, [CuBr(2)(H(2)O)(2)]·C(12)H(24)O(6)·2H(2)O, the Cu(II) atom, which is situated on an inversion centre and has a slightly distorted square-planar geometry, and the two coordinated water mol-ecules are linked to the 18-crown-6 macrocycles by O-H⋯O hydrogen bonds. The water mol-ecule of crystallization further links the metal complex and the crown ether macrocycles into a chain along the c axis. ...[more]

PMID: 21587748

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Di-?-bromido-bis-[bromido(di-2-pyridylmethane-diol-?N,N')copper(II)] dihydrate.

Project description:The centrosymmetric title complex, [Cu(2)Br(4)(C(11)H(10)N(2)O(2))(2)]·2H(2)O, was one of three complexes isolated by slow evaporation of an acetonitrile reaction mixture of CuBr(2) with di-2-pyridyl ketone (1:1 molar ratio). The title complex contains a 1:1 metal-to-ligand ratio of copper(II) with the hydrated form of the ligand di-2-pyridylmethane-diol. The copper centers are bridged by bromide donors, leading to a Cu-Cu distance of 4.090?(6)?Å. The crystals form as non-merohedral twins with two components related by a 180° rotation around the normal to [100]; the selected sample had a twin ratio of 0.63:0.37.

| S-EPMC2960647 | biostudies-literature

Diaqua-bis(benzyl-oxyacetato)copper(II).

Project description:In the title mononuclear complex, [Cu(C(9)H(9)O(3))(2)(H(2)O)(2)], the Cu(II) ion, located on an inversion center, is hexa-coordinated by four O atoms from two benzyl-oxyacetate ligands [Cu-O = 1.9420 (14) and 2.2922 (14) Å] and two water mol-ecules [Cu-O = 2.0157 (15) Å] in a distorted octa-hedral geometry. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC2961141 | biostudies-literature

Diaqua-(5,10,15,20-tetra-phenyl-porphyrinato-?(4)N)magnesium-18-crown-6 (1/1).

Project description:In the title compound, [Mg(C(44)H(28)N(4))(H(2)O)(2)]·C(12)H(24)O(6), the Mg(II) cation lies on an inversion center and is octa-hedrally coordinated by the four N atoms of the deprotonated tetra-phenyl-porphyrin (TPP) ligand and by two water mol-ecules. The asymmetric unit contains one half of the [Mg(TPP)(H(2)O)(2)] complex and one half of an 18-crown-6 mol-ecule. The average equatorial magnesium-pyrrole N atom distance (Mg-N(p)) is 2.071?(1)?Å and the axial Mg-O(H(2)O) bond length is 2.213?(1)?Å. The crystal packing is stabilized by two O-H?O hydrogen bonds between coordinating water mol-ecules and adjacent 18-crown-6 mol-ecules, and exhibits a one-dimensional supramolecular structure along the a axis. The supramolecular architecture is futher stabilized by weak C-H?? inter-actions. The 18-crown-6 mol-ecule is disordered over two sets of sites with an occupancy ratio of 0.8:0.2.

| S-EPMC3569206 | biostudies-literature

Diaqua-(triethano-lamine)copper(II) sulfate monohydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(6)H(15)NO(3))(H(2)O)(2)]SO(4)·H(2)O, contains a complex cation, a sulfate anion and one uncoordinated water mol-ecule. In the complex cation, the Cu(II) ion is coordinated by five O atoms (three of which are from the triethano-lamine ligand and two from coordinated water mol-ecules) and one N atom of the triethano-lamine ligand in a typical Jahn-Teller-distorted octa-hedral geometry. Classical inter-molecular O-H?O hydrogen bonds link the cation, the sulfate anion and the water mol-ecule into a two-dimensional network.

| S-EPMC2977285 | biostudies-literature

Diaqua-bis-(perchlorato)(1,10-phenanthroline)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(C(12)H(8)N(2))(H(2)O)(2)], the Cu(II) atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water mol-ecules trans to the N atoms. The coordination sphere of the metal atom is augmented by O atoms of two weakly bonded perchlorate anions, thus yielding a strongly distorted CuN(2)O(4) octa-hedral environment. The crystal packing is stabilized by O-H⋯O hydrogen bonds between the water mol-ecules and the perchlorate anions. In addition, the organic mol-ecules are associated by π-π stacking inter-actions between symmetry-equivalent anti-parallel non-nitro-gen aromatic rings, with inter-planar distances of 3.543 (2) Å.

| S-EPMC3008125 | biostudies-literature

Dibenzo-18-crown-6-picric acid-water (1/2/3).

Project description:In the crown ether ring of the title compound, C(20)H(24)O(6)·2C(6)H(3)N(3)O(7)·3H(2)O, the O-C(H(2))-C(H(2))-O torsion angles indicate a gauche conformation of the ethyl-eneoxy units, while the C-O-C-C torsion angles indicate planarity of these segments; the dihedral angle between the two benzene rings is 44.53?(13)°. In both picric acid mol-ecules, one of the nitro groups is twisted away from the attached ring. The mol-ecules are linked into chains along the b axis via inter-molecular O-H?O hydrogen bonds. In addition, the crystal structure is stabilized by C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distance between benzene rings = 3.5697?(16)?Å].

| S-EPMC2961663 | biostudies-literature

Bis(acetonitrile-?N)diaqua-bis-(perchlorato-?O)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(CH(3)CN)(2)(H(2)O)(2)], the Cu(2+) ion, located on a special position (site symmetry [Formula: see text]), is coordinated by six monodentate ligands, viz. an N-coordin-ated acetonitrile, a perchlorate anion and a water mol-ecule, and their symmetry-related counterparts. The perchlorate anion is disordered over two sets of sites with occupancies of 0.53?(2) and 0.47?(2). The crystal structure is stabilized by O-H?O hydrogen bonds involving the perchlorate ion and aqua H atoms.

| S-EPMC3212188 | biostudies-literature

Diaqua-dichloridobis[quinazolin-4(1H)-one-?N]copper(II).

Project description:In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu-O distances are significantly longer [2.512?(2)?Å], than the Cu-N [2.022?(2)?Å] and Cu-Cl [2.3232?(4)?Å] distances as a result of Jahn-Teller distortion. Aqua ligands are involved in intra- and inter-molecular hydrogen bonding, and N-H?O inter-molecular hydrogen bonds are formed between the organic ligands. In addition, weak ?-? inter-actions are observed between the benzene rings of the ligand [centroid-centroid distance = 3.678?(1)?Å].

| S-EPMC3011606 | biostudies-literature

Poly[diaqua-μ(3)-4-nitro-phthalato-copper(II)].

Project description:In the title complex, [Cu(C(8)H(3)NO(6))(H(2)O)(2)](n), the two carboxyl-ate groups of the 4-nitro-phthalate dianion ligands have monodentate and 1,3-bridging bonding modes, respectively. The Cu atom shows an approximate square-pyramidal coordination as it is bonded to O atoms from the carboxyl-ate groups of three 4-nitro-phthalate ligands and two O atoms of the non-equivalent coordinated water mol-ecules. Other Cu atoms in the coordination polymer are connected into a two-dimensional layer in the ab plane. The layers are aggregated to a three-dimensional structure through inter-layer hydrogen bonding involving an O atom of a nitro group. The whole three-dimensional structure is further maintained and stabilized by intra-layer hydrogen bonds between the O atoms of the carboxyl-ate groups and the coordinated water mol-ecules.

| S-EPMC3050255 | biostudies-literature

Tetrakis[(benzene-18-crown-6)potassium]bis[tris(thiocyanato)copper(I)].

Project description:The title complex, bis-(?-benzene-18-crown-6)-3?(6)O:4?O;4?(6)O:3?O-bis-(benzene-18-crown-6)-1?(6)O,6?(6)O-tetra-?-thiocyanato-1:2?(2)S:N;2:3?(2)N:S;4:5?(2)S:N;5:6?(2)N:S-dithio-cyanato-2?N,5?N-2,5-dicopper(I)-1,3,4,6-tetra-potassium(I), [K(4)Cu(2)(NCS)(6)(C(16)H(24)O(6))(4)] or {[K(C(16)H(24)O(6))](4)[Cu(NCS)(3)](2)}, consists of four [K(benzene-18-crown-6)](+) cations and two [Cu(NCS)(3)](2-) anions, forming a dimeric structure with site symmetry . In each [Cu(NCS)(3)](2-) anion, the Cu(I) atom is coordinated by three N atoms of thio-cyanate ligands in a trigonal-planar coordination geometry. Each [Cu(NCS)(3)](2-) anion bridges two [K(benzene-18-crown-6)](+) cations, with K-S distances of 3.317?(3) and 3.198?(3)?Å, and two [K(benzene-18-crown-6)](+) cations are linked across a crystallographic centre of inversion, with K-O distances of 2.903?(5)?Å.

| S-EPMC2960845 | biostudies-other

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