Potassium borohydride

A sodium chloride lattice-type arrangement is obtained for K[BH₄]. The K and B atoms lie on sites with m3m symmetry. The H atoms of the anion are disordered and the freely refined unique B—H distance is 1.09 (1) Å.

LaMg₂Ni₉, an example of the new AB₂C₉ structure type

LaMg₂Ni₉, the first member of the AB₂C₉ structure type, related to the PuNi₃ structure, has been refined from single-crystal diffraction data.

Phenylferrocene

The crystal structure of phenylferrocene shows the two cyclopentadienyl (Cp) rings to be parallel to each other and almost eclipsed. The pendant phenyl ring is bonded at a C—C distance of 1.469 (5) Å and the angle between the mean planes of the Cp and phenyl rings is 11.4 (3)°.

Bis[1,1,3,3-tetra­butyl-1,3-bis­(2,3-di­phenylquinoxaline-6-carboxylato)-1,3-distannoxane]

In the centrosymmetric complex dimer, the two independent Sn atoms are five-coordinate in C₂SnO₃ geometries [C—Sn_endocyclic—C 140.9 (5)° and C—Sn_exocyclic—C 139.9 (4)°]. Owing to an Sn⋯O interaction of 2.779 (6) Å, the geometry of the Sn_endocyclic atoms is distorted towards skew-trapezoidal bipyramidal.

Dinitrito(1,10-phenanthroline)copper(II)

Green [Cu(NO₂)₂(phen)] contains six-coordinate copper(II) with a distorted tetragonal [Cu^IIN₂O₄] core. The nitrito ligands are bonded to copper using both O atoms [Cu—O 1.999(3) and 2.056 (2) Å, and longer Cu—O 2.470 (3) and 2.396 (3) Å]. The Cu—N distances are 1.995 (3) and 2.021 (2) Å.

Bis(η⁵-methylcyclo­pentadienyl)(piperidine-N)(piperidinido-N)ytterbium

Reaction of (MeC₅H₄)₂YbCl with LiNC₅H₁₀ in toluene affords the neutral title complex, (MeC₅H₄)₂Yb(NC₅H₁₀)(HNC₅H₁₀). The Yb atom is coordinated by two methylcyclopentadienyl rings and two piperidine/piperidinide N atoms to form a distorted tetrahedral geometry.

Di­chloro(3,4,5,6-tetra­methylthio-1,3-benzodi­thiazole-2-thione-S⁵,S⁶)copper(II)

The copper coordination in the title complex is fundamentally tetragonal, but there are two weak Cu—Cl contacts along the z axis. Thus, the coordination can also be considered as distorted octahedral. Through these contacts, the complex forms a one-dimensional chain structure with Cu⋯Cu distances of 4.117 (2) and 4.175 (2) Å.

Di­azidobis(4,4'-di-tert-butyl-2,2'-bi­pyridine-N,N')manganese(II)

In the title complex, the N atoms of the 4,4'-di-tert-butyl-2,2'-bipyridine and azide ligands form a distorted octahedron around the Mn^II atom, with the two azide moieties in a cis configuration.

μ-Acetato-μ-chloro-μ-oxo-bis­[di­chloro(tri­phenylphosphine)rhenium] chloroform solvate

The title compound is an example of a crystallographically characterized dirhenium complex. The two independent but similar molecules show Re—Re distances of 2.5160 (3) and 2.5166 (3) Å.

[(5RS,9SR)-4,8-Di­azaundecane-1,11-di­amine](perchlorato-O,O')copper(II) perchlorate

The Cu^II ion is six-coordinated in a distorted octahedral environment with bonds to the four N atoms of the tetraamine ligand and two O atoms of the perchlorate ion. The tetradentate ligand is in its stable conformation with the three six-membered rings in chair forms.

L-Alanyl-L-leucine hemihydrate

The crystal structure is different from those of all other dipeptides with two hydrophobic residues. There are thick hydrophobic layers generated by Leu side chains. Solvent water molecules, located on twofold axes, link charged N- and C-terminal groups in pairs of hydrophilic sheets.

Di­methyl 2-(6-benzyl­oxy-2-methylthiopyrimidin-4-yl)imino-3-(tri­phenyl-λ⁵-phosphanyl­idene)succinate

The title compound has bond lengths which indicate very little delocalization of electronic charge in the pyrimidine ring. Molecules in the structure are linked to form chains in the a direction by C—H⋯O hydrogen bonds [C⋯O 3.196 (2) Å].

Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetra­hydropyrimidin-1-ide

There are two independent cations and anions in the title compound. The anions are linked by N—H⋯O hydrogen bonds to form infinite chains and the cations are linked to these chains by N—H⋯N hydrogen bonds.

7-(D-arabino-1,2,3,4-Tetra­acetoxybutyl)-1-methyl-1,2,3,4-tetra­hydropteridine-2,4-dione

The conformation and packing of the title compound are determined by N—H⋯O intermolecular hydrogen bonds and C—H⋯O contacts. The two rings of the pteridine moiety are individually essentially planar and are inclined at 4.3 (3)° with respect to one another.

Two polyacetylated 6-amino-5-[N-(β-D-gluco­pyranosyl)amino]-3-methylpyrimidine-2,4(1H,3H)-diones

The relative orientations of the pyrimidine base and pyranoside sugar moieties in C₁₉H₂₆N₄O₁₁^.H₂O, (I), and C₂₃H₃₀N₃O₁₃, (II), are primarily determined by intramolecular N—H⋯O and O—H⋯O hydrogen bonds in (I), and by an N—H⋯O hydrogen bond in (II).

Three 3-aryl-5-cyano­pyrazolo[3,4-b]pyridines

The molecular structures of the 3-aryl-5-cyanopyrazolo[3,4-b]pyridines 2C₂₆H₁₉ClN₄^.C₃H₇NO, (I), and C₂₆H₂₀N₄O, (II), exist in the 2H tautomeric form both in solution and in the crystalline state. The C₂₅H₁₄Cl₂N₄ compound, (III), is shown to be the aromatic crystalline oxidation product of a 2H precursor in solution.

Three hydrohalogenides of organic nitrogen bases

The structures of 4-methylpyridinium chloride, C₆H₈N^+.Cl⁻, (I), 3-methylpyridinium chloride, C₆H₈N^+.Cl⁻, (II), and 3-methylpyridinium bromide, C₆H₈N^+.Br⁻, (III), have been determined. In all three cases, there is a hydrogen bond between the halogen atom and the protonated N atom. Furthermore, the packing is stabilized by several C—H⋯halogen contacts. It is remarkable that neither (II) and (III), nor (I) and 4-methylpyridine hydrobromide are isostructural.

3'-(p-Nitro­phenyl)-2-phenyl-4'-(p-tolyl)spiro[iso­quinoline-3(2H),5'(4'H)-isoxazolin]-4(1H)-one

The title compound is a cycloaddition product of p-nitrobenzadoxime and N-phenyl-3-tolyolene-4-isoquinolone. It contains an almost planar isoxazoline ring. The C atoms of the isoquinoline moiety lie in a common plane, with the N atom deviating by 0.474 (2) Å from that plane.

trans-Bis(4-quinolyl)ethylene

The title compound belongs to the class of styrylquinolines which are of interest because of their photochemical behaviour. The central double bond is trans configured and the two quinoline rings form similar angles with the plane of the double bond.

4-Phenylbut-3-en-2-one (benzalacetone)

The title compound is a nearly planar molecule. The crystal packing is stabilized by intermolecular C—H⋯O hydrogen bonds.

Bis(2-azido­ethyl) [(3-methylphenyl)(p-toluenesulfonamido)methyl]phosphonate

The asymmetric unit contains two independent molecules which are linked by a pair of N—H⋯O hydrogen bonds [N⋯O 2.852 (4) and 2.914 (4) Å]. The two molecules exhibit significant differences in conformation; in one molecule, the 2-azidoethyl groups are far from the shielding area of the α-benzene ring and almost vertical to it, while in the other molecule these two β-azidoethyl groups are close to the plane of the α-benzene ring and approximately parallel to it.

4-Acet­oxy-3,5,6-tri­methyl-2-(3-oxo­butyl)phenyl 4-nitrobenzoate

The title compound is a multi-functional compound and potential intermediate for making new molecular entities. The three substituents other than methyl have essentially planar skeletons, each of which is approximately perpendicular to the hexasubstituted aromatic ring.

Celecoxib, a COX-II inhibitor

Celecoxib {4-[5-(4-methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benezenesulfonamide} is one of the selective COX-II inhibitors with anti-inflammatory activity. The molecules are connected into a chain by an intermolecular hydrogen bond between the N and O atoms of sulfonamide groups in neighbouring molecules.

An omeprazole impurity

The title compound, 8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]-imidazo[1,2-a][1,3]benzimidazol-2(12H)-one, was isolated during impurity profiling of omeprazole and was crystallized from ethanol. The molecules are essentially planar and show normal van der Waals interactions.

A double-layered hydroxide, 3CaO.Al₂O₃.CaI₂.10H₂O

The structure of 3CaO^.Al₂O₃^.CaI₂^.10H₂O, also formulated as Ca₂Al(OH)₆I^.2H₂O, consists of positively charged main layers, [Ca₂Al(OH)₆]⁺, and negatively charged interlayers, [I⁻,2H₂O]. The oxygen coordination numbers of the Al³⁺ and Ca²⁺ cations are six and seven, respectively, and all non-H atoms occupy ordered sites.

KCu₂VSe₄

The structure of KCu₂VSe₄ consists of a network of edge- and corner-sharing [VSe₄] and [CuSe₄] tetrahedra parallel to (010). The layers are separated by K⁺ cations.

Ammonium trivanadate(V), NH₄V₃O₈

The structure of NH₄V₃O₈ consists of vanadium oxide layers and NH₄⁺ cations held together via N—H⋯O hydrogen bonds.

The low-temperature tetragonal phase of NiCr₂O₄

A normal spinel nickel chromite undergoes a cubic to tetragonal phase transition at low temperature. The structure of the tetragonal phase has been refined using single-crystal X-ray diffraction data.

A molecular tetraamminecopper(II)-trans-diamminecopper(II) tetra­cyanonickelate(II) coordination compound

The title complex is a rare example of a discrete molecular cyano-copper-nickel complex.

Trierbium digallide trigermanide

The single-crystal structure determination of Er₃Ga₂Ge₃ (analysed as Er₃Ga_2.21Ge_2.79) is reported. Er₃Ga₂Ge₃ is isotypic with Pu₃Pd₅.

The solid solution of composition K₂PdBr_2.24Cl_1.76

The crystal structure refinement of the solid solution of composition K₂PdBr_2.24Cl_1.76, dipotassium bromochloropalladate, which is an isotype of both potassium tetrachloropalladate(II) and potassium tetrabromopalladate(II), is reported.

Na₂NbO₂AsO₄, a new niobium monoarsenate

The structure of disodium dioxoniobium arsenate is built of NbO₆ octahedra and AsO₄ tetrahedra sharing corners to form layers. The Na⁺ cations are located between the layers.

Heteropoly blue Rb_4.4[H_0.6V_0.6Mo₁₂O₄₀]

The structure of rubidium tetracontaoxo(hydro)(dodecamolybdo)vanadate tetradecahydrate is built up of heteropolyoxy anions with the general formula XM₁₂O₄₀ (X = V^V and M = Mo^VI or V^IV) that conform with the Keggin family of structures.

Ba₃TaAs₃O displaying the distorted tetrahedral TaAs₃O^6- anion

The Ba₃TaAs₃O orthorhombic cell contains pseudo-tetrahedral TaAs₃O⁶⁻ anions surrounded by Ba²⁺ cations. This forms a three-dimensional network of interconnected trigonal prisms.

Na₂Ca₃Ta₂O₉ with a simple stacking of oxygen triangular nets

Na₂Ca₃Ta₂O₉ exhibits R32 symmetry and contains [Ta₂O₉]⁸⁻ face-sharing trigonal prisms. Na and Ca atoms also occupy oxygen trigonal prism sites.

An extreme case of ZnO₆ octahedral distortion in trizinc tris­(selenite) hydrate, Zn₃(SeO₃)₃

Trizinc tris[trioxoselenate(IV)] hydrate, Zn₃(SeO₃)₃^.H₂O, is built up from a dense network of ZnO₆ octahedra and SeO₃ pyramids, sharing vertices and edges. One of the zinc octahedra is exceptionally distorted with two of its Zn—O bonds longer than 2.48 Å.

trans-Bis(ethylenedi­amine)di­nitrocobalt(III) perchlorate

A redetermination of bis­(ethylenedi­amine-N,N')bis­(perchlorato-O)copper(II)

catena-Poly[[[bis­(2-pyridyl) ketone-N,N']copper(II)]-di-μ-chloro]

Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate

trans-Bis(N-ethylethane-1,2-di­amine)di­nitronickel(II)

Bis(guanidinium) hexa­chlorostannate(IV)

Di­aquabis(hydrogen phthalato)copper(II), a new phase

A rhenium(V)–arylimide species incorporating pyridine-2-aldimine chelation

Disodium bis­[μ-2-hy­droxy-2-methylpropanoato(2 –)]-O¹,O²:O²;O²:O¹,O²-bis­[dioxovanadate(V)] heptahydrate

[trans-Bis(en)dioxoosmium(VI)] trans-bis­(en)dioxoosmium(VI)[aqua-η¹-sulfato-η²-sulfatoiron(II)][di­aquabis(η¹-sulfato)iron(II)] hexahydrate

Tri­carbonyliron complexes derived from di­methyl 1,3-butadiene-2,3-di­carboxylate: formation of [Fe(CO)₃]₂–di­methyl 1,3-butadiene-2,3-di­carboxylate

(Carbonato-O,O')bis­(propane-1,3-diyldi­amine-N,N')cobalt(III) chloride monohydrate

catena-Poly[[bis­(imidazole-N³)cadmium(II)]-bis­(μ-thio­cyanato)-S:N;N:S]

Copper(I) cyanide–thio­morpholine (3/1)

[Cd(4,4'-bipy)₂(NO₃)₂](2-nitroaniline)₂, a novel two-dimensional lattice inclusion compound

[1,1'-Bis(di­phenylphosphino)ferrocene]tri­chloro(phenylimido)rhenium(V) di­chloro­methane solvate

Carbonyl-μ-di­methylacetylene di­carboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes

{[μ-Bis(salicyl­idene)-1,3-propanediaminato]-bis­(4-methylpyridine)nickel(II)}di­chlorozinc(II)

A three-dimensional framework formed from cadmium(II) cyanide and 1-methylimidazole

A coordination compound of (–)-ephedrine and palladium(II)

Di-μ-bromo-bis­[bromo(η⁶-para-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis­[(η⁶-para-cymene)iodoruthenium(II)] toluene solvate

Polysulfonylamines. CXIV. trans-Di­methyltetra­kis­(urea-O)tin(IV) bis­[di(methane­sulfonyl)amidate] aceto­nitrile monosolvate

[2-(2-Pyridyl-N)quinoxaline-N¹]silver(I) nitrate

Dioxobis(8-quinolinolato-N,O)tungsten(VI)

L-Argininium tris­(acetato-O,O')dioxouranium(III)–acetic acid–water (1/1/1)

Absolute configuration of exo-syn-syn-di­carbonyl(η⁵-cyclo­pentadienyl)[(1,2,3-η)-(1R,2S,3S)-1-phenylbut-2-en-1-yl]molybdenum(II)

A tetracopper(II) complex containing two μ-oxamidato-dicopper(II) units linked by croconate anions

[(2S,4S)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene

A long-chain alkyl-tethered Mo₂S₂ core, [Bu₄N]₂[Mo₂(CO)₈(n-C₆H₁₃ S)₂]

Hexa­aquazinc(II) bis­[N-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-di­hydropyrimidin-2-yl)glycinate] dihydrate

Bis(2-ethyl-3-hy­droxy-4-pyranonato)di­iodotin(IV) aceto­nitrile solvate

(Aceto­nitrile-N)(η⁴-2-methylbuta-1,3-diene)(η⁵-penta­methylcyclo­pentadienyl)ruthenium(II) tri­fluoro­methane­sulfonate

Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py) and anionic O,O-bidentate chelates: [Tb(Tp^py)(dbm)₂] and [Eu(Tp^py)(trop)(NO₃)] (Hdbm is di­benzoylmethane and Htrop is tropolone)

Acetylferrocene thiosemicarbazone

[N,N'-Bis(salicyl­idene)ethylenediaminato-N,N',O,O']platinum(II)

Bis[μ-(hydrogen benzene-1,2-di­carboxylato)-O:O']bis­[bis­(1,10-phenanthroline-N,N')cobalt(II)] bis­(hydrogen benzene-1,2-di­carboxylate) dihydrate

Anhydrous polymeric zinc(II) heptanoate

[Co(phen)(thiourea)(H₂ O)Cl₂]^.thiourea (phen is 1,10-phenanthroline)

Bis[(μ-O,O'-salicylato)(2,2'-bi­pyridyl)copper(II)] acetylsalicylic acid dihydrate

3-Hydroxyphthalide and its adduct with di­butyltin oxide

Poly[[tetra­aquapraesodymium(III)-μ-(iminiodi­acetato-O,O':O':O'',O''':O''')] dichloride hydrate]

Di­aqua{hydrogen bis­[1-(2-pyridyl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate

(E)-3,4-Di-tert-butylhex-3-ene-2,5-dione

Polysulfonylamines. CXXI. Three N,N-di­sulfonylated 1-adamantylamines

An ethyl acetate inclusion complex of 4,5-bis­(4-methoxyphenyl)-2-(3-nitro­phenyl)-1H-imidazole

Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide

Mirror symmetry in 7,9-di­benzyl-1-tert-butoxycarbonyl-1,7,9-tri­aza­spiro[4.5]dec-3-en-2-one

2-tert-Butyl-9,10-di­bromoanthracene

The tert-butylammonium perchlorate complex of 2,3-naphtho-18-crown-6 at 115K

8-Chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate

5-[(Di­methylamino)methylene­amino]-3-methyl-1-phenylpyrazole

4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione

2-Methyltelluro-N-phenylbenzamide

The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone

4,4'-Bipyridinium diperchlorate

3,3,6,6-Tetra­methyl-1-tri­methylsilyl-3,6-di­aza-1,4,5-tricarbaheptaborane(10)

4,6-Di­eth­oxy-1,3,5-triazin-2(1H)-one

Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione

3,3-Di­chloro-1-(p-chloro­phenyl)-4-(p-methoxyphenyl)-2-azetidinone

Five analogs of the active metabolite of leflunomide

Inhibitor of HIV-1 reverse transcriptase: N'-(5-bromo-2-pyridyl)-N-[2-(2,5-di­methoxyphenyl)ethyl]thiourea

rac-(3R,5S)-5-(1-Cyclo­propyl-1-methylethyl)-3,5-di­phenyl-2,3,4,5-tetra­hydro­furan-2-one, a triclinic structure with local monoclinic pseudosymmetry

Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100K

Taraxerol acetate at 100K

1-Ethynylcyclo­hexylammonium acetate

Two independent C²₂(20) chains in the hydrogen-bonded structure of 4,4'-biphenol–4,4'-bi­pyridyl (1/1)

2,2'-Biphenol–1,4-di­azabi­cyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯π(arene) hydrogen bonds

Network of C—H⋯O interactions in 4-benzyl­oxy-3-methoxybenzaldehyde (vanillin benzyl ether)

Hydrogen bonding and C—H⋯O interactions in bis­(4-carboxyquinolinium) sulfate monohydrate

Di­cyclo­hexylammonium tri­fluoro­acetate

1,4-Bis(2-hy­droxy-5-methylbenzyl)piperazine

3α-Hy­droxy-5α-androstane-4,17-dione

Triterpenoide. XVII. 3,28-Di­meth­oxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olid

Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern

3,5,5-Tri­phenyl-4,5-di­hydro-1,2,4-oxa­diazole

2-Tosylaminobenzaldehyde

ent-Isocopal-12-ene-15,16-di­aldehyde from Spongia officinalis

2-(2-Fluoro-4-nitroanilino­ethyl)benzaldehyde and N-(2-fluoro-4-nitro­phenyl)-1-meth­oxy-1,2,3,4-tetra­hydroiso­quinoline

C—H⋯π_arene, Csp³—H⋯O=C and O—H⋯O intermolecular interactions in (2R/2S)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-di­hydro-2H-isoindol-2-yl)propanoic acid: a meta-tyrosine derivative

Deca­bromodi­phenyl ether

L-Alanyl-L-phenylalanine–2-propanol (1/2) (α-form), L-valyl-L-phenylalanine–2-propanol (1/1) and L-leucyl-L-phenylalanine–2-propanol (1/1) (β-form)

4,8-Di­benzyl-2',4',6'-tri­nitro­spiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]

2-Benzoyl-2-methyl-1,3-di­thiane

N-Benzyl-N-(2-iodo-4-methylphenyl)cinnamamide and N-benzyl-N-(p-tolyl)cinnamamide

rac-5,5'-Bis(2-acetoxypropyl)-2,2'-furil

4-Benzoyl-2-chloro-6-phenylpyrimidine

A cyclam-like macrocycle side-bridged by a propyl chain

Prices of IUCr Journals