Na₃Ca₂TaO₆, a rock-salt superstructure phase with a fully ordered cation arrangement

The title quaternary oxide, trisodium dicalcium tantalum hexaoxide, is isostructural with Li₃Ni₂TaO₆, a partially ordered rock-salt phase. The Na, Ca and Ta atoms occupy octahedral sites in an orderly manner and form a cation-ordered superstructure.

On the way to sol–gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H₂O)₄]

A full single-crystal structure analysis of [Ba(OH)I(H₂O)₄] reveals intra- and intermolecular hydrogen bonding, leading to a three-dimensional network. The compound is an intermediate between BaI₂ and the gel of Ba(OH)₂(H₂O)_x.

Potassium sodium tin selenide, K₃NaSn₃Se₈

The structure of K₃NaSn₃Se₈ is composed of tritetrahedral [Sn₃Se₈]⁴⁻ anions, which are separated by four-coordinate Na⁺ and eight-coordinate K⁺ cations.

Tetra-n-butyl­ammonium bis­(1,2-dimercaptoethene-1,2-dicarbo­nitrilato-S,S′)­nickel(III)

A novel Pt^II–dibenzo-18-crown-6 (DB18C6) complex

(μ-2,6-Bis{[(2-hy­droxy­phenyl)­(2-pyri­dyl­methyl)­amino]­methyl}-4-methyl­phenolato)­bis­[di­aqua­nickel(II)] ace­tate di­methyl­formamide 0.75-hy­drate

trans-Di­chloro(1,12-di­phenyl-5,8-dioxa-2,11-di­thia­dodecane-S,S′)pal­ladium(II)

Bis(di­methyl sulfoxide-S)tetra­kis­(μ-p-hydroxybenzoato-O:O′)dirhodium(II)–tetra­kis­(μ-butyrato-O:O′)bis­(di­methyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate

Tetra­bromo(2,6-di­methyl­pyridine-N)titanium(IV), a twinned crystal structure

Two mixed-metal carboxyl­ate–base adducts

Di­aqua{6,6′-di­meth­oxy-2,2′-[propane-1,3-diylbis(nitrilo­methyl­idyne-N)]diphenolato-O,O′}nickel(II)

A ferrocenyl-substituted pseudo­titanocene complex

μ-Oxo-bis­[(2,3,12,13-tetra­bromo-5,10,15,20-tetra­phenyl­porphyrinato)­iron(III)] bis­(di­chloro­methane) solvate

Chlor­amine-B sesquihydrate

A novel three-dimensional copper(II) network via hydrogen bonds: di­aquabis[bis­(pyrazol-1-yl-κN²)methane]copper(II) diperchlorate

A dicationic gallium–oxo–hydroxide cage compound

Astemizole tetra­chloro­cuprate(II)

Hydrogen bonds and C—H⋯O interactions in N-(2-hy­droxy-1,1-di­methyl­ethyl)benzamide at 150 K

2,4,5,7-Tetra­methyl­phenanthrene at 150 K

Hydrogen bonding and C—H⋯O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150 K

The antifolate trimetrexate: observation of the enzyme-binding conformation

Three meth­oxy-substituted di­ethyl 4-phenyl-2,6-di­methyl-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate compounds

A synchrotron-radiation study of the lactone form of rhodamine B at 120 K

Bis(4-propargyl­oxy-3-quinolyl­thio)­methane

trans–cis S-Benzyl di­thiocarbazate

4-(N-Hy­droxy­ethyl-N-methyl­amino)­benz­aldehyde thio­semicarbazone

2,4-Bis(o-tolyl)-3-azabi­cyclo[3.3.1]nonan-9-one

trans-Tetra­chlorobis(N,N′-di­methyl­imidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds

The addition-reaction product of 1,1,1,4,4,4-hexa­chloro-1,4-disila­butane with N-methyl­imidazole

Multicentre hydrogen bonds in a 2:1 aryl­sulfonyl­imidazol­one hydro­chloride salt

Two crystalline modifications of 2-hy­droxy­cyclo­pent-2-enone

Three leflunomide metabolite analogs

2-(2-Oxoimidazolidinyl)ethyl 2-methyl­prop-2-enoate

5-Oxo­cyclo­octane­carboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring ∊-keto acid

Benzyl 5-carb­oxy-4-ethyl-3-methyl­pyrrole-2-carboxyl­ate

Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition

Bis(3-nitro­phenyl) di­sulfide forms no C—H⋯O hydrogen bonds

(5S)-3-Oxo-4-oxa-endo-tri­cyclo[5.2.1.0^2,6]­dec-8-en-5-yl acetate

2,4,6-Tri­chloro­phenyl­iso­nitrile and 2,4,6-tri­chloro­benzo­nitrile

DL-Arginine monohydrate at 100 K

A synchrotron diffraction study of two polymorphic forms of 2,5-bis­[2-(4-methoxyphenyl)ethenyl]pyrazine

2-Hydroxy-5-[(E)-(4-meth­oxy­phenyl)­diazenyl]­benzoic acid

An inhibitor of Janus kinase 3: 4-(4-hy­droxy­phenyl­amino)-6,7-di­meth­oxy­quinazolin-1-ium chloride methanol solvate

Oxythi­amine hexa­fluorophosphate monohydrate, a thi­amine antagonist with the same conformation as thi­amine

Hydrogen bonding and C—H⋯O interactions in 4-phenanthrene­methanol at 150 K

Synthetic mansfieldite, AlAsO₄·2H₂O

Synthetic mansfieldite is confirmed to be a variscite-type phase. cis-AlO₄(H₂O)₂ octahedra and AsO₄ tetrahedra form a dense vertex-sharing network. The O—H⋯O hydrogen-bonding network has been elucidated.

Caesium vanadium selenite, Cs(VO₂)₃(SeO₃)₂

Caesium vanadium(V) selenite contains vertex-sharing layers of distorted VO₆ octahedra, capped by pyramidal selenite groups. Interlayer caesium cations complete the structure, which is isostructural with M(VO₂)₃(SeO₃)₂ (M = NH₄⁺, K⁺) and Cs(VO₂)₃(TeO₃)₂.

Tri­potassium hexa­hydrogen­hexa­molybdo­cobaltate(III) potassium nitrate tetra­hydrate, K₃[H₆CoMo₆O₂₄]·KNO₃·4H₂O

The title double salt was obtained from the reaction of Y(NO₃)₃ and K₆[H₄Co₂Mo₁₀O₃₈]·5H₂O at a pH of about 2.0. The [H₆CoMo₆O₂₄]³⁻ anion is a typical B-type Anderson-structure heteropolyanion.

catena-Poly­[[tetra­kis­[μ-(3-meth­oxy­phenyl)­acetato-O:O′]­dicopper(II)]-μ-2-amino­pyrimidine-N¹:N³]

The structure of the title compound comprises a zigzag polymer of alternating tetrakis­(μ-carboxyl­ato-O:O′)­dicopper(II) and 2-amino­pyrimidine units linked by axial Cu—N bonds, and the non-centrosymmetric structure has four unique (3-methoxy­phenyl)­acetate moieties.

Two 2,5-bis­(2-pyridinyl)-1,3,4-oxa­diazo­le–metal complexes (M = Cu and Ni)

In complexes of the ligand 3,5-bis(2-pyridinyl)-1,3,4-oxa­diazole (pod), coordination is through one pyridine and one oxa­diazole N atom, i.e. it behaves as a bidentate ligand. Octahedral coordination of the Cu or Ni metal atom in the title complexes, (I) and (II), respectively, is achieved by two pod ligands and two water mol­ecules in axial positions.

(n-Butyl­diphenyl­phosphine)­dichloro(η⁶-p-cymeme)­ruthenium(II)

The title ruthenium complex contains a monodentate (C₄H₉)PPh₂ ligand coordinated by the P atom. Coordination about the metal centre is completed by a η⁶-p-cymene ligand and two Cl atoms.

catena-Poly­[[[bis­(N,N′-di­phenyl­thio­urea)­cadmium(II)]-di-μ-thio­cyanato] dihydrate]

Bridging by the two thio­cyanate groups in centrosymmetric six-coordinate bis­(di­phenyl­thio­urea)­bis­(thio­cyanato)­cadmium(II) dihydrate leads to the formation of eight-membered [Cd—SCN→Cd—SCN→] rings that are linked at the metal atom to furnish chains running parallel to the a axis.

Sodium hydrogen nitrilo­tri­acetate dihydrate

In the title compound, the sodium ion is coordinated in a distorted octahedral manner by two carboxyl­ate O atoms and two water O atoms. Each of these water mol­ecules bridges two adjacent Na ions, resulting in two four-membered rings of the type Na–O–Na–O.

Three different functions of a phosphinic amidato ligand in LNi(LLi)(LH) {L = [^tBu₂P(O)NEt]⁻}

A pseudo-tetrahedral Ni complex has been formed as a result of incomplete bis-chelation of Ni²⁺ by L⁻. The dihedral angle at nickel is 68.8 (1)°. A trigonal–planar LiO₃ coordination is formed, with Li—O distances of 1.801 (6), 1.825 (6) and 1.842 (6) Å.

Lanthanide complexes of 2,2′-oxydi­acetate: Na₅[M(C₄H₄O₅)₃](BF₄)₂·6H₂O (M = Nd, Sm or Gd)

The three title complexes, (I)–(III), are isomorphous and isostructural and have crystallographic D₃ symmetry. The lanthanide metal ions are coordinated by nine O atoms in a skewed tricapped trigonal prismatic geometry.

Bis(2,6-di­amino-3,5-di­bromo­pyridinium) tetra­bromo­cuprate(II)

Reaction of CuBr₂ with 2,6-di­amino­pyridine in HBr solution leads to 3,5-dibromination of the pyridininium ring. The resultant cation was isolated as the [CuBr₄]²⁻ salt. The di­amino­di­bromo­pyridinium ions are planar, while the Cu^II ions have a distorted compressed tetrahedral coordination with C₂ symmetry.

Bis­[4-(di­methyl­amino)­pyridinium] hexa­chloro­stannate(IV)

The structure consists of C₇H₁₁N₂⁺ cations and centrosymmetric [SnCl₆]²⁻ octahedra. The octahedral [SnCl₆]²⁻ anion is hydrogen bonded via trans-Cl atoms to pyridinium N atoms from two cations forming (C₇H₁₁N₂)₂[SnCl₆] structural units.

mer-Tri­chloro­tris­(1,3-thia­zole-N)­ruthenium(III)

The first Ru^III–thz (thz is 1,3-thia­zole) complex characterized via X-ray diffraction, mer-[Ru­Cl₃­(C₃H₃NS)₃], is a potentially cytostatic compound and consists of discrete complex mol­ecules with an octahedral coordination sphere in which the metal centre is linked to three chloride ions and to three thz ligands through the N atoms. The compound was prepared from the reaction of K₃RuCl₆ and excess thia­zole in MeOH. The Ru—Cl and Ru—N bond distances average 2.3462 (6) and 2.0851 (19) Å, respectively.

A new inorganic–organic hybrid: tetra­imid­azolium octa­molyb­date(VI) containing the β-form of the [Mo₈O₂₆]⁴⁻ anion

The structure of the title compound consists of β-[Mo₈O₂₆]⁴⁻ polyanions and imidazolium cations. A γ→β conversion is produced in the presence of Cu(NO₃)₂·3H₂O.

The polyoxometallate [(CH₃)₄N]₂[Mo₄O₁₀(OCH₃)₄Cl₂]

The centrosymmetric [Mo₄O₁₀(OCH₃)₄Cl₂]²⁻ anion is built up of four edge-sharing octahedra, two MoO₆ and two MoO₅Cl.

Bis­(pyridine­carboxyl­ato-O,N)­(pyri­dine­carboxylic acid-O,N)­manganese(III) hy­drox­ide

In the title complex, the Mn atom is coordinated by three N atoms and three O atoms from three pyridine­carboxyl­ate ligands in a distorted octahedral geometry. One ligand is protonated and is hydrogen bonded to the hydro­xide anion.

A zigzag-type one-dimensional coordination polymer formed by (2,2-di­methyl-1,3-propane­diamine)­bis­(iso­nico­tin­ato)­platinum(II) and copper nitrate

The title compound is a one-dimensional heterometallic coordination polymer of the zigzag-type with the molecular composition [(dmpda)Pt(isonic)₂Cu(H₂O)₃](NO₃)₂, where dmpda is 2,2-di­methyl-1,3-propane­di­amine and isonic is isonicotinate. One Cu atom links two platinum complex mol­ecules through coordination to two carboxyl­ate groups from the two platinum complex units, and the polymer has repeat zigzag units in which the Cu—Pt—Cu angle is 64.9°.

Low-temperature tris­(tert-butyl 3-oxo­butan­oato)­iron(III)

The Fe atom in the low-temperature (173 K) structure of the title metal–organic chemical vapour deposition (MOCVD) precursor is octahedrally coordinated and the three chelate rings are found to be significantly non-planar, adopting a half-chair conformation with the Fe atom out of the plane. The structure exhibits only intramolecular C—H⋯O interactions.

Chloro­dimethyl(N-methyl­pyrrolidin­one)­tin(IV)-μ-chloro-di­chloro­dimethyl­tin(IV)

The title compound is found to exhibit a distorted trigonal–bipyramidal geometry at both Sn^IV atoms. The Sn—Cl—Sn angle involving the bridging chlorine ligand is 135.56 (5)°. The values of the Sn—Cl bond lengths in the bridge are 2.5704 (13) and 3.1159 (13) Å.