Synthèse et étude structurale de Na₉Cr(MoO₄)₆

In Na₉Cr(MoO₄)₆ the basic structure units are isolated polyhedral clusters composed of a central CrO6 octa­hedron sharing vertices with six MoO4 to form an open (0D) framework in which the Na⁺ cations are oriented at the free vertices of the MoO4 tetra­hedra.

Crystal structure of bis­[N-phenyl-2-(1,2,3,4-tetra­hydronaphthalen-1-yl­idene)hydrazinecarbo­thio­amidato-κ²N²,S]zinc di­methyl sulfoxide monosolvate

The synthesis and crystal structure of a Zn^II complex with a (3,4-di­hydro­naphthalen-1(2H-yl­idene)-N-phenyl-carbamohydrazino­thio­ate ligand is reported. The crystal structure shows DMSO mol­ecules bridging the complex units, building an one-dimensional H-bonded polymer.

Crystal structure of [bis­(2,6-diiso­propyl­phen­yl) phosphato-κO]tris­(methanol-κO)lithium methanol monosolvate

In the first reported crystal structure of the family of lithium phosphate diesters, the Li atom is in a slightly distorted tetra­hedral coordination environment and exhibits one intra­molecular O—H⋯O hydrogen bond between a coordinating methanol mol­ecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol mol­ecules through two inter­molecular O—H⋯O hydrogen bonds and with a neighbouring unit through two other O—H⋯O inter­actions.

Crystal structures of di­chlorido­palladium(II), -platinum(II) and -rhodium(III) complexes containing 8-(di­phenyl­phosphan­yl)quinoline

8-(Di­phenyl­phosphan­yl)quinoline (Ph₂Pqn) acts as an asymmetric bidentate ligand to form a planar five-membered chelate ring in the di­chlorido­palladium(II) and -platinum(II) complexes, (SP-4)-[MCl₂(Ph₂Pqn)] (M = Pd or Pt), as well as in the di­chlorido­rhodium(III) complex, (OC-6-32)-[RhCl₂(Ph₂Pqn)₂]PF₆.

Crystal structure of bis­(azido-κN)bis­[2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole-κ²N²,N³]cobalt(II)

The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN₆ core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN₆ octa­hedron.

Le nitrate double NaRb₂(NO₃)₃, composé intermédiaire du système binaire isobare NaNO₃ + RbNO₃: études thermiques et cristallographiques

NaRb₂(NO₃)₃ nitrate is the only inter­mediate compound in the system NaNO₃ + RbNO₃. It has, according to a thermal study, three allotropic forms. The structure of the low-temperature form is presented.

Crystal structure of poly[μ₂-aqua-aqua­(μ₂-4-nitro-2,5,6-trioxo-1,2,5,6-tetra­hydro­pyridin-3-olato)hemi-μ₄-oxalato-barium(II)]

In a Ba coordination polymer incorporating 4-nitro-2,5,6-trioxo-1,2,5,6-tetra­hydro­pyridin-3-olate, oxalate and aqua ligands, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter­molecular O—H⋯O hydrogen bonds link these layers into a three-dimensional supra­molecular framework.

Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1^3,8]do­decane (TATD)–4-bromo­phenol (1/2)

The first crystal structure determination of a 1:2 co-crystalline adduct of 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1^3,8]dodecane is presented. In the crystal, adducts are linked by C—H⋯O and C—H⋯Br hydrogen bonds, forming a two-dimensional network.

Crystal structures of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR)-13-hy­droxy-7-meth­oxy­meth­oxy-11,15,18,18-tetra­methyl-3-oxo-2,4-dioxa­tetra­cyclo­[12.3.1.0^1,5.0^6,11]octa­dec-15-en-10-yl benzoate, its 13-epimer and 13-one derivative

In the title three compounds, the ring conformations of tetra­cycles are similar; each tetra­cycle adopts essentially planar, chair, half-chair and chair–chair forms. In the crystals, mol­ecules are linked into similar chains by inter­molecular hydrogen bonds.

Crystal structure of di­methyl­ammonium hydrogen oxalate hemi(oxalic acid)

The title salt consists of a di­methyl­ammonium cation (Me₂NH₂⁺), an hydrogenoxalate anion (HC₂O₄⁻), and half a mol­ecule of oxalic acid (H₂C₂O₄) situated about an inversion center. They are linked together through inter­molecular hydrogen bonds, forming a two-dimensional bilayer-like self-assembly.

Crystal structure of 2,4-di­amino-6-oxo-3,6-di­hydro­pyrimidin-1-ium p-toluene­sulfonate

In the crystal of the title salt, the 2,6-di­amino-4-oxo-1,3-di­hydro­pyrimidin-1-ium cations and the p-toluene­sulfonate anions are linked by a series of N—H⋯O hydrogen bonds, forming tunnel-like polymer chains propagating along [010].

Crystal structure of poly[bis­(μ-nicotinamide-κ²N¹:O)bis­(μ-4-nitro­benzoato-κ²O¹:O^1′)zinc]

The asymmetric unit of the title zinc(II) coordination polymer contains two 4-nitro­benzoate (NB) anions and two nicotinamide (NA) ligands. Only one of the two NB anions and one of the two NA ligands bridge adjacent Zn^II ions through eight- and 12-membered rings, respectively, forming polymeric chains running along the a-axis direction.

Packing polymorphism in the crystal structure of 4,5-dimeth­oxy-2-nitro­benzyl acetate

The title compound shows two packing polymorphs, in which the mol­ecular structures are planar and essentially similar. One crystal shows inter­molecular C—H⋯O and π–π inter­actions, while the other crystal exhibits several modes of inter­molecular C—H⋯O inter­actions.

Crystal structure of (Z)-N′-[1-(3-methyl-5-oxo-1-phenyl-1,5-di­hydro-4H-pyrazol-4-yl­idene)prop­yl]benzene­sulfono­hydrazide

The title compound crystallizes in the keto form and the carbonyl O atom forms an intra­molecular N—H⋯O hydrogen bond with the neighbouring NH group. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds to form inversion dimers, which are linked via pairs of C—H⋯O hydrogen bonds, forming chains propagating along [100].

Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benz­yloxy-7-meth­oxy­meth­oxy-11,15,18,18-tetra­methyl-3-oxo-2,4-dioxa­tetra­cyclo­[12.3.1.0^1,5.0^6,11]octa­deca-14,16-dien-10-yl benzoate

In the title compound, the ring conformations of the tetra­cycle are twist, chair, half-chair and chair–boat forms. In the crystal, inter­molecular C—H⋯O and C—H⋯π inter­actions link mol­ecules to construct a three-dimensional architecture.

Crystal structure of a polymeric calcium levulinate dihydrate: catena-poly[[di­aqua­calcium]-bis­(μ₂-4-oxo­butano­ato)]

The crystal structure of calcium levulinate dihydrate forms a one-dimensional coordination polymer based on a CaO₈ complex unit which lies on a twofold rotation axis. This unit comprises two monodentate water O-atom donors and six carboxyl­ate O-atom donors, two of which are also bridging, from the two bidentate chelate levulinate ligands. The complex chains are stabilized by intra- and inter­molecular water O—H⋯O hydrogen bonds, forming an overall three-dimensional structure.

Crystal structure of a new hybrid anti­mony–halide-based compound for possible non-linear optical applications

In a novel one-dimensional hybrid compound, the inorganic part contains zigzag chains formed by corner-sharing [SbCl₆]³⁻ octa­hedra. 1,4-Diazo­niabi­cyclo­[2.2.2]octane dications cations are lodged around the anionic framework. Water mol­ecules play an important role in the structure connectivity.

Crystal structure of SrGeO₃ in the high-pressure perovskite-type phase

The high-pressure phase of SrGeO₃ synthesized at 6 GPa and 1223 K adopts the ideal cubic perovskite-type structure. The Ge—O bond is largely covalent, which influences the thermal vibration behavior of the O atom.

Crystal structure of 5-{3-[2,6-di­methyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate

The crystal structure and supra­molecular features of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate, a derivative of anti­viral `WIN compounds', are reported.

Crystal structures of 2,2′-bipyridin-1-ium 1,1,3,3-tetra­cyano-2-ethoxyprop-2-en-1-ide and bis­(2,2′-bipyridin-1-ium) 1,1,3,3-tetra­cyano-2-(di­cyano­methylene)propane-1,3-diide

In each of the title compounds, the anion shows evidence of extensive electronic delocalization. A combination of N—H⋯N and X—H⋯N hydrogen bonds links the ions in (I) into a ribbon of alternating centrosymmetric (18) and (26) rings, and those in (II) into simple (7) chains of alternating cations and anion with further cations pendent from the chain.

Crystal structure of rac-(3a'R,9a'R)-3a'-(indol-3-yl)-1′,2′,3′,3a',4′,9a'-hexa­hydro­spiro­[cyclo­pentane-1,9′-penta­leno[1,2-b]indole] p-xylene hemisolvate

The title compound is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclo­penta­none. In the crystal, mol­ecules are connected by a series of N—H⋯π and C—H⋯π inter­actions, forming slabs parallel to (010).

Crystal structure of 2-methyl-1H-imidazol-3-ium aqua­tri­chlorido­(oxalato-κ²O,O′)stannate(IV)

N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C₄H₇N₂)⁺[Sn(H₂O)Cl₃(C₂O₄)]⁻ are responsible for the formation of a three-dimensional network structure.

Crystal structures of 1-(4-chloro­phen­yl)-2-(di­phenyl­phosphor­yl)ethan-1-one and 1-(di­phenyl­phosphor­yl)-3,3-di­methyl­butan-2-one

The title compounds were synthesized via an Arbuzov reaction between an α-bromo­ketone and isopropoxydi­phenyl­phosphane. In the crystals of both compounds, mol­ecules are linked via bifurcated C—H⋯(O,O) hydrogen bonds, forming chains propagating along [100] and along [010].

Crystal structure of di-μ-chlorido-bis­[di­chlorido­bis­(methanol-κO)iridium(III)] dihydrate: a surprisingly simple chlorido­iridium(III) dinuclear complex with methanol ligands

While attempting to synthesize a cyclo­penta­dienyl iridium complex by the reaction between IrCl₃·xH₂O in methanol, several well-shaped crystals formed from the reaction mixture. Surprisingly, the crystals were of di-μ-chlorido-bis­[di­chlorido­bis­(methanol-κO)iridium(III)] dihydrate, [Ir₂Cl₆(CH₃OH)₄]·2H₂O. This is a surprising result in that, while many reactions of iridium chloride hydrate are carried out in alcoholic solvents, especially methanol and ethanol, this is the first structure of a chlorido-iridium compound with only methanol ligands.

Crystal structure of 3-bromo-2-hy­droxy­benzoic acid

Centrosymmetric dimers with a central (8) ring motif are formed as a result of (carbox­yl)O—H⋯O(carbox­yl) hydrogen bonds. In addition, there is an intra­molecular (hydrox­yl)O—H⋯O(carbox­yl) hydrogen-bonding inter­action.

Crystal structure of bis­[4-(1H-pyrrol-1-yl)phen­yl] ferrocene-1,1′-di­carboxyl­ate: a potential chemotherapeutic drug

The solid-state structure of a disubstituted ferrocene with electrochemically active pendant groups has been determined. This is a potential chemotherapeutic drug.

Crystal structure of bis­[trans-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ⁴N)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data

The Cr^III atoms in the title compound show a distorted octa­hedral coordination with four N atoms of the cyclam ligand in the equatorial plane and two N-coordinated NCS⁻ groups in axial positions. The macrocyclic ligands adopt trans-III configurations. The crystal packing is stabilized by N—H⋯S and N—H⋯Cl hydrogen bonds.

Crystal structure of bis­[1,3-bis­(2,6-diiso­propyl­phen­yl)imidazol-2-yl­idene]silver(I) chloride tetra­hydro­furan monosolvate

In the title compound, the silver atom is coordinated by two 1,3-bis­(2,6-di­methyl­phen­yl)imidazol-2-yl­idene ligands, with the imidazole rings inclined to one another by 46.69 (13)°. In the crystal, mol­ecules are linked by trifurcated C—H⋯(Cl,Cl,Cl) hydrogen bonds, forming two-dimensional networks parallel to (010).

New insights in the discovery of novel h-MAO-B inhibitors: structural characterization of a series of N-phenyl-4-oxo-4H-chromene-3-carboxamide derivatives

N-(Substituted phen­yl)-4-oxo-4H-chromene-3-carboxamides have very similar conformations but show different inhibition activities against h-MAO-B so it may be assumed that the electronic environment provided by the substituents on the phenyl ring is the primary condition for the pharmacological activities displayed by these mol­ecules.

Crystal structure of bis­(2-amino-5-chloro­pyridinium) tetra­chlorido­cobaltate(II)

In the structure of bis­(2-amino-5-chloro­pyridinium) tetra­chlorido­cobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetra­hedral anion.

Crystal structure of disodium dicobalt(II) iron(III) tris­(orthophosphate) with an alluaudite-like structure

The transition metal orthophosphates Na₂M₂Fe(PO₄)₃ (M = Co, Ni) crystallize in an alluaudite-type structure. The chains characterizing the alluaudite structure are then built up from [M₂O₁₀] units alternating with [FeO₆] octa­hedra.

Crystal structure of trans-di­aqua­bis­(4-cyano­benzoato-κO)bis­(nicotinamide-κN¹)cobalt(II)

In the title complex, the Co^II atom is located on an inversion centre and is coordinated by two 4-cyano­benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions.

Crystal structure of [2-(tri­ethyl­ammonio)­eth­yl][(2,4,6-triiso­propyl­phen­yl)sulfon­yl]amide tetra­hydrate

The zwitterionic title compound shows a major disorder of the triiso­propyl­phenyl group over two equally occupied locations. An inter­esting feature is the uncommon hydrate structure, exhibiting a tape-like motif which can be classified as a transition of the one-dimensional T4(2)6(2) motif into the two-dimensional L4(6)5(7)6(8) motif.

The crystal structure of 3-chloro-2-(4-methyl­phenyl)-2H-pyrazolo­[3,4-b]quinoline

The crystal structure and supra­molecular features of 3-chloro-2-(4-methyl­phen­yl)-2H-pyrazolo­[3,4-b]quinoline are reported.

Crystal structure of Ba₅In₄Sb₆

Crystal structure of (1,3-di-tert-butyl-η⁵-cyclo­penta­dien­yl)tri­methyl­hafnium(IV)

Crystal structure of poly[di-μ-aqua-{5-[(1Z)-2-(4-chloro­phen­yl)-1-cyano­ethenyl]-1,2,3,4-tetra­zol-1-ido-κN¹}sodium]

Crystal structure of (2-formyl­phenolato-κ²O,O′)oxido(2-{[(2-oxidoeth­yl)imino]­meth­yl}phenolato-κ³O,N,O′)vanadium(V)

Crystal structure of tricarbon­yltris(pyri­dine-κN)rhenium(I) tetra­fluorido­borate

Crystal structure of catena-poly[[[aqua­bis­(1H-imidazole-κN³)copper(II)]-μ-3-({4-[(2-carboxyl­atoeth­yl)carbamo­yl]phen­yl}formamido)­propano­ato-κ²O:O′] dihydrate]

Crystal structure of 1-[2-(di­ethyl­aza­nium­yl)eth­yl]-3-methyl­imidazolium tetra­chlorido­cuprate(II)

Crystal structure of di­chlorido­bis­(methyl isonicotinate-κN)copper(II)

Hydro­thermal synthesis and crystal structure of a new lanthanum(III) coordination polymer with fumaric acid

Crystal structure of tetra­kis­(μ₃-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}phenolato)tetra­copper(II) ethanol monosolvate 2.5-hydrate

Crystal structure of catena-poly[bis­[μ₃-2-(2-nitro­phen­yl)acetato-κ³O:O:O′]disilver(I)]

Crystal structure of catena-poly[[[tetra­aqua­zinc(II)]-μ-1,4-bis­[4-(1H-imidazol-1-yl)benzo­yl]piperazine] dinitrate monohydrate]

Crystal structure of μ-peroxido-κ⁴O¹,O²:O^1′,O^2′-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ³N,N′,N′′)dioxidouranium(VI)]

Crystal structure of (4-fluoro­phenyl-κC¹)iodido­(N,N,N′,N′-tetra­methyl­ethylenedi­amine-κ²N,N′)palladium(II)

Crystal structure of bis­[4-(di­methyl­amino)­pyridine-κN¹]bis­(methanol-κO)bis­(thio­cyanato-κN)manganese(II)

Crystal structure of ethyl 6-(2-fluoro­phen­yl)-4-hy­droxy-2-sulfanyl­idene-4-tri­fluoro­methyl-1,3-diazinane-5-carboxyl­ate

Crystal structure of quinolinium 2-carb­oxy-6-nitro­benzoate monohydrate

Crystal structure of 2-(1-methyl­eth­yl)-1,3-thia­zolo[4,5-b]pyridine

Crystal structure of methyl 1-methyl-2-oxo­spiro­[indoline-3,2′-oxirane]-3′-carboxyl­ate

Crystal structure of (2-methyl-4-phenyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidin-3-yl)(phen­yl)methanone

Crystal structure of 5,5′-di­bromo-3,3′-di-tert-butyl-6,6′-di­methyl­biphenyl-2,2′-diol

Crystal structure of [1-(3-chloro­phen­yl)-5-hy­droxy-3-methyl-1H-pyrazol-4-yl](p-tol­yl)methanone

Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate

Crystal structure of (1S,3R,8R,9S,10R)-10-bromo­methyl-2,2-di­chloro-9,10-ep­oxy-3,7,7-tri­methyl­tri­cyclo­[6.4.0.0^1,3]dodeca­ne

Crystal structure of tetra­butyl­ammonium bromide–1,2-di­iodo-3,4,5,6-tetra­fluoro­benzene–di­chloro­methane (2/2/1)