Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl] under high pressure.

The compression behavior of [Rb(18-crown-6)][SbCl] crystal under pressure up to 2.16 (3) GPa was investigated in a diamond anvil cell (DAC) using a mixture of pentane-isopentane (1:4) as the pressure-transmitting fluid. The compound crystallizes in trigonal space group R3 and no phase transition was observed in the indicated pressure range.

A bis-chelate -vanillin-2-ethano-lamine copper(II) complex bearing both imine and amine forms of the ligand.

The mol-ecular bis-chelate complex (2-{[(2-hy-droxy-ethyl-κ)amino-κ]meth-yl}-6-meth-oxy-phenolato-κ)(2-{[(2-hy-droxy-eth-yl)imino-κ]meth-yl}-6-meth-oxy-phenolato-κ)copper(II), [Cu(CHNO)(CHNO)] or [Cu(H )(H ); H = CHNO; H = CHNO, represents the first compound containing a salicyl-idene-2-ethano-lamine type ligand in both imino H (Schiff base) and amino H (reduced Schiff base) forms that has been structurally characterized on the basis of X-ray data. Two mol-ecules of the monodeprotonated ligands coordinate the Cu ion in an (, )-bidentate and an (, , )-tridentate fashion in the case of the imino and amino forms, respectively. The shape of the CuNO coordination polyhedron is a distorted square-pyramid (geometry index τ = 0.

Synthesis and crystal structure of a solvated Co complex with 2-hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone ligands.

The title Co complex, bis-[bis-(2-hy-droxy-3-meth-oxy-benzaldehyde thio-semi-carbazonato)cobalt(III)] di-thio-nate-dimethylformamide-methanol (1/4/3), [Co(CHNOS)](SO)·4CHNO·3CHOH, with monodeprotonated 2-hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone as ligands crystallizes in the space group . The asymmetric unit consists of two mononuclear [Co ] cations, one di-thio-nate anion (SO) as counter-anion and seven solvate mol-ecules (four di-methyl-methanamide and three methanol). Each Co ion has a moderately distorted octa-hedral SNO geometry.

Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes targeting HSP90-HER2 axis in breast cancer cells.

Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes were designed as potential HSP90 inhibitors. A series of the compounds was synthesized by oximation of (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-ones followed by O-acylation with acylamidobenzoic acids. The obtained compounds showed an antiproliferative effect on three breast cancer cell lines (MCF7, MDA-MB-231 and HCC1954).

Crystal structure of bis(μ-{2-[(5-bromo-2-oxido-benzyl-idene)amino]-eth-yl}sulfanido-κ ,,){2,2'-[(3,4-di-thia-hexane-1,6-di-yl)bis-(nitrilo-methanylyl-idene)]bis-(4-bromo-phenolato)-κ ,,','}dicobalt(III) di-methyl-formamide monosolvate.

The title binuclear Co complex, [Co(CHBrNOS)(CHBrNOS)]·CHNO, with a Schiff base ligand formed from cyste-amine (2-amino-ethane-thiol) and 5-bromo-salicyl-aldehyde crystallizes in the space group 2. It was found that during the synthesis the ligand undergoes spontaneous oxidation, forming the new ligand H ' having an S-S bond. Thus, the asymmetric unit consists of one Co()(') mol-ecule and one DMF solvent mol-ecule.

Tris(μ-2-meth-oxy-6-{[(2-sulfido-eth-yl)imino]meth-yl}phenolato)trinickel(II) di-methyl-formamide monosolvate: crystal structure, spectroscopic characterization and anti-bacterial activity.

The title trinuclear nickel(II) complex, [Ni(CHNOS)]·CHNO, with a Schiff base ligand formed from 2-amino-ethane-thiol and -vanillin crystallizes in the ortho-rhom-bic space group . Its asymmetric unit consists of one neutral Ni mol-ecule and one DMF solvent mol-ecule. The solid-state organization of the complex can be described as an insertion of the solvent mol-ecules within the crystallographically independent trinuclear Ni species.

Bis{μ-2,2'-[(3,4-di-thia-hexane-1,6-di-yl)bis-(nitrilo-methanylyl-idene)]bis-(4-bromo-phenolato)-κ,,','}dicopper(II).

The crystal structure of the title compound, [Cu(CHBrNOS)], consists of binuclear complex units which lie across inversion centres and are connected by weak Cu-O coordination bonds forming chains along the axis. The Cu ion is five-coordinated by two N atoms and two O atoms of the chelating ligand and one symmetry-related O atom forming a square-pyramidal coordination geometry. In the crystal, short S⋯Br contacts connect neighbouring chains into a two-dimensional network parallel to (101).

Crystal structure of bis(μ-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.

The title dinuclear copper(II) complex [Cu(CHBrNOS)] was prepared by direct synthesis of a dianionic Schiff base derived from 5-bromo-salicyl-aldehyde and cyste-amine. The discrete mol-ecules lie across inversion centers and crystallize with two di-methyl-formamide (DMF) mol-ecules of crystallization. The unique Cu ion is four-coordinated by two tetra-dentate Schiff base ligands in a distorted square-planar NO environment.

Crystal structure of tetra-kis-[μ2-2-(di-methyl-amino)-ethano-lato-κ(3) N,O:O]di-μ3-hydroxido-di-thio-cyanato-κ(2) N-dichromium(III)dilead(II) di-thio-cyanate aceto-nitrile monosolvate.

The tetra-nuclear complex cation of the title compound, [Cr2Pb2(NCS)2(OH)2(C4H10NO)4](SCN)2·CH3CN, lies on an inversion centre. The main structural feature of the cation is a distorted seco-norcubane Pb2Cr2O6 cage with a central four-membered Cr2O2 ring. The Cr(III) ion is coordinated in a distorted octa-hedron, which involves two N atoms of one bidentate ligand and one thio-cyanate anion, two μ2-O atoms of 2-(di-methyl-amino)-ethano-late ligands and two μ3-O atoms of hydroxide ions.

Unusual centrosymmetric structure of [M(18-crown-6)](+) (M = Rb, Cs and NH4) complexes stabilized in an environment of hexachloridoantimonate(V) anions.

In (1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V), [Rb(C12H24O6)][SbCl6], (1), and its isomorphous caesium {(1,4,7,10,13,16-hexaoxacyclooctadecane)caesium hexachloridoantimonate(V), [Cs(C12H24O6)][SbCl6]}, (2), and ammonium {ammonium hexachloridoantimonate(V)-1,4,7,10,13,16-hexaoxacyclooctadecane (1/1), (NH4)[SbCl6]·C12H24O6}, (3), analogues, the hexachloridoantimonate(V) anions and 18-crown-6 molecules reside across -3 axes passing through the Sb atoms and the centroids of the 18-crown-6 groups, both of which coincide with centres of inversion. The Rb(+) [in (1)], Cs(+) [in (2)] and NH4(+) [in (3)] cations are situated inside the cavity of the 18-crown-6 ring; they are situated on -3 axes and are equally disordered about centres of inversion, deviating from the centroid of the 18-crown-6 molecule by 0.4808 (13), 0.

Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy-ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2'-(methylimino)diethanolato-1:2κ(4) O,N,O':O]dithiocyanato-1κN,2κN-chromium(III)copper(II).

The title compound, [CrCu(C5H11NO2)(C5H12NO2)(NCS)2(H2O)] or [Cr(μ-mdea)Cu(μ-Hmdea)(NCS)2H2O], (where mdeaH2 is N-methylethanolamine, C5H13NO2) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol-ecular structure of the complex is based on a binuclear {CuCr(μ-O)2} core. The coordination environment of each metal atom involves the N,O,O atoms of the tridentate ligand, one bridging O atom of the ligand and the N atom of the thio-cyanato ligands.

Crystal structure of {2-[({2-[(2-amino-eth-yl)amino]-eth-yl}imino)-meth-yl]pheno-lato}aqua-copper(II) bromide.

In the mononuclear copper(II) title complex, [Cu(C11H16N3O)(H2O)]Br, the Cu(II) atom is coordinated by one O and three N atoms of the Schiff base ligand that forms together with one water mol-ecule a slightly distorted [CuN3O2] square-pyramidal polyhedron. The deviation of the Cu(II) atom from the mean equatorial plane is 0.182 (2) Å.

Poly[[tri-μ-aqua-do-deca-aqua-tris-(μ3-1-hy-droxy-ethyl-idene-1,1-di-phospho-nato)tricalcium(II)tripalladium(II)] penta-hydrate].

The asymmetric unit of the title compound, {[CaPd{CH3OHC(PO3)2}(H2O)5]·5/3H2O} n , consists of one half of the complex [Pd{CH3OHC(PO3)2}](2-) anion (point group symmetry m..), one Ca(2+) cation [site symmetry (.

Chlorido-bis-(1,10-phenanthroline-κ(2) N,N')copper(II) chlorido-(1,10-phen-anthroline-κ(2) N,N')(pyridine-2,6-di-carboxyl-ato-κ(3) O (2),N,O (6))manganate(II) methanol monosolvate.

The title complex, [CuCl(C12H8N2)2][Mn(C7H3NO4)Cl(C12H8N2)]·CH3OH, consists of discrete [CuCl(phen)2](+) cations (phen is 1,10-phenanthroline), [MnCl(pydc)(phen)](-) anions (H2pydc is 2,6-pyridine-2,6-di-carb-oxy-lic acid) and one methanol solvent mol-ecule of crystallization per asymmetric unit. It should be noted, that a solvent-masking procedure as implemented in OLEX2 [Dolomanov et al. (2009).

trans-Chloridobis-(ethane-1,2-di-amine-κ(2) N,N')(thio-cyanato-κN)cobalt(III) diammine-tetra-kis-(thio-cyanato-κN)cromate(III).

The title ionic complex [CoCl(NCS)(C2H8N2)2][Cr(NCS)4(NH3)2], which crystallizes as a non-merohedral twin, is build up of a complex cation [CoCl(NCS)(en)2](+) (en is ethane-1,2-di-amine) and the Reinecke's salt anion [Cr(NCS)4(NH3)2](-) as complex counter-ion. A network of N-H⋯S and N-H⋯Cl hydrogen bonds, as well as short S⋯S contacts [3.538 (2) and 3.

Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) penta-cyanido-nitro-soferrate(II).

The asymmetric unit of the title complex [Cu(C14H12N2)2]2[Fe(CN)5(NO)], consists of a [Cu(dmp)2](+) cation (dmp is 2,9-dimethyl-1,10-phenanthroline) and half an [Fe(CN)5(NO)](2-) anion. The anion is disordered across an inversion center with the Fe(II) ion slightly offset (ca 0.205Å) from the inversion center in the direction of the disordered trans-coordinating CN/NO ligands.

Bis[chloridobis(1,10-phenanthroline)copper(II)] penta-cyanido-nitro-soferrate(II) di-methyl-formamide monosolvate.

The title complex [CuCl(C12H8N2)2]2[Fe(CN)5(NO)]·C3H7NO, consists of discrete [Cu(phen)2Cl](+) cations (phen is 1,10-phenanthroline), [Fe(CN)5NO](2-) anions and one di-methyl-formamide (DMF) solvent mol-ecule of crystallization per asymmetric unit. The Cu(II) atom is coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle between the phen ligands is 77.

Tris(2,2'-bipyridine)-copper(II) penta-cyanido-nitro-soferrate(II) methanol disolvate monohydrate.

The title complex [Cu(C10H8N2)3][Fe(CN)5(NO)]·2CH3OH·H2O, consists of discrete [Cu(bpy)3](2+) cations (bpy is 2,2'-bipyridine), [Fe(CN)5NO](2-) anions and solvent mol-ecules of crystallization (two methanol mol-ecules and one water mol-ecules per asymmetric unit). The Cu(II) ion adopts a distorted octa-hedral environment, coordinated by six N atoms from three bpy ligands. The cation charge is balanced by a nitro-prusside counter-anion, which has a slightly distorted octa-hedral coordination geometry.

Tetra-kis(μ(2)-cyanido-κ(2)C:N)dicyanido-tetra-kis-[tris-(2-amino-eth-yl)amine-κ(3)N,N',N'',N''']tetra-copper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate.

The asymmetric unit of the title complex, [Cu(4)Fe(CN)(6)(C(6)H(18)N(4))(4)][Fe(CN)(5)(NO)](2)·6H(2)O, comprises a complex [{Cu(tren)CN}(4)Fe(CN)(2)](4+) [tren is tris-(2-amino-eth-yl)amine] cation, which exhibits -1 symmetry with the terminal cyanide ligands oriented trans to each other, and two [Fe(CN)(5)(NO)](2-) nitroprussiate counter-anions. In the crystal, N-H⋯N hydrogen-bonding inter-actions are observed between H atoms on the primary amine groups of the tren ligand and the terminal cyanide groups of the nitro-prussiate counter-ions. The N atom in the terminal CN ligand of the cation is equally disordered over two positions.

Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?

In poly[di-μ-chlorido-μ-(4,4'-bipyridazine)-κ(2)N(1):N(1')-cadmium(II)], [CdCl(2)(C(8)H(6)N(4))](n), (I), and its isomorphous bromide analogue, [CdBr(2)(C(8)H(6)N(4))](n), (II), the halide atom lies on a mirror plane and the Cd(II) ion resides at the intersection of two perpendicular mirror planes with m2m site symmetry. The pyridazine rings of the ligand lie in a mirror plane and are related to each other by a second mirror plane perpendicular to the first. The compounds adopt the characteristic structure of the [M(II)X(2)(bipy)] type (bipy is bipyridine) based on crosslinking of [Cd(μ-X)(2)](n) chains [Cd-Cl = 2.

Bis(μ-4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolato)bis-[chlorido(dimethyl sulfoxide)-iron(III)] dimethyl sulfoxide disolvate.

In the centrosymmetric dimeric title complex, [Fe(2)(C(14)H(10)N(2)O(4))(2)Cl(2)(C(2)H(6)OS)(2)]·2C(2)H(6)OS, two {Fe(L)Cl(DMSO)} units (L is the tridentate ligand 4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolate; DMSO is dimethyl sulfoxide) are bridged by two O atoms, with an Fe⋯Fe separation of 3.1838 (8) Å. The coordination polyhedron of the Fe(III) atoms can be described as distorted octa-hedral, with four Fe-O, one Fe-N and one Fe-Cl coordination bonds.

Diaqua-bis-(propane-1,3-diamine)-nickel(II) bis-(propane-1,3-diamine)-disulfato-nickelate(II).

The ionic Ni(II) title complex, [Ni(C(3)H(10)N(2))(2)(H(2)O)(2)][Ni(SO(4))(2)(C(3)H(10)N(2))(2)], is built up of [Ni(dipr)(2)(H(2)O)(2)](2+) complex cations and [Ni(dipr)(2)(SO(4))(2)](2-) complex anions (dipr is propane-1,3-diamine). Both Ni(II) atoms display a slightly distorted octa-hedral coordination and are located on inversion centers. There are several types of hydrogen-bonding inter-actions, which connect complex cations and anions into a two-dimensional network parallel to (010).

Novel heterometallic Schiff base complexes featuring unusual tetranuclear {Co(III)2Fe(III)2(μ-O)6} and octanuclear {Co(III)4Fe(III)4(μ-O)14} cores: direct synthesis, crystal structures, and magnetic properties.

A one-pot reactions of cobalt powder with iron(II) chloride in dimethylformamide (DMF; 1) or dimethyl sulfoxide (DMSO; 2) solutions of polydentate salicylaldimine Schiff base ligands (H(2)L(1), 1; H(4)L(2), 2) based on 2-aminobenzyl alcohol (1) or tris(hydroxymethyl)aminomethane (2), formed in situ, yielded two novel heterometallic complexes, [Co(III)(2)Fe(III)(2)(L(1))(6)]·4DMF (1) and [Co(III)(4)Fe(III)(4)(HL(2))(8)(DMSO)(2)]·18DMSO (2). Crystallographic investigations revealed that the molecular structure of 1 is based on a tetranuclear core, {Co(III)(2)Fe(III)(2)(μ-O)(6)}, with a chainlike metal arrangement, while the structure of 2 represents the first example of a heterometallic octanuclear core, {Co(III)(4)Fe(III)(4)(μ-O)(14)}, with a quite rare manner of metal organization, formed by two pairs of {CoFe(HL(2))(2)} and {CoFe(HL(2))(2)(DMSO)} moieties, which are joined by O bridges of the Schiff base ligands. Variable-temperature (1.

Bis[N-(2-amino-eth-yl)ethane-1,2-diamine-κN,N',N'']copper(II) tris-[diamminetetra-kis-(thio-cyanato-κN)chromate(III)] thio-cyanate dimethyl sulfoxide tetra-deca-solvate monohydrate.

The ionic title complex, [Cu(C(4)H(13)N(3))(2)](2)[Cr(NCS)(4)(NH(3))(2)](3)(NCS)·14C(2)H(6)OS·H(2)O, consists of complex [Cu(dien)(2)](2+) cations [dien is N-(2-amino-eth-yl)ethane-1,2-diamine], com-plex [Cr(NCS)(4)(NH(3))(2)](-) anions, an NCS(-) counter-anion and uncoordinated dimethyl sulfoxide (DMSO) and water solvent mol-ecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thio-cyanate counter-anion and water mol-ecule are disordered over two positions close to an inversion center.

Diaqua-bis-(propane-1,3-diamine)-copper(II) bis-[diamminetetra-kis-(thio-cyanato-κN)chromate(III)] dimethyl sulfoxide octa-solvate.

The ionic title complex, [Cu(C(3)H(10)N(2))(2)(H(2)O)(2)][Cr(NCS)(4)(NH(3))(2)]·8C(2)H(6)OS, consists of complex [Cu(dipr)(2)(H(2)O)(2)](2+) copper cations (dipr is propane-1,3-diamine), complex [Cr(NCS)(4)(NH(3))(2)](-) anions and uncoord-inated solvent dimethyl sulfoxide (DMSO) mol-ecules. All the metal atoms lie on crystallographic centers of symmetry. The cations are connected to the anions through N-H⋯O hydrogen bonds between the NH(3) mol-ecules of the anion and the water mol-ecules of the cation.