New developments for Acta Crystallographica Section C

Editorial for 2000.

Rb₄Zr₃Te₁₆, a one-dimensional zirconium telluride synthesized from molten salt

The crystal structure of Rb₄Zr₃Te₁₆ consists of infinite one-dimensional chains of [Zr₃Te₁₆]_n⁴ⁿ⁻ separated from each other by Rb⁺ cations. Within the chain, each Zr atom is surrounded by eight Te atoms to give a distorted bicapped trigonal prism polyhedron.

Potassium oxoaluminate antimonate(III), K₂[Al₂Sb₂O₇]

The structure of K₂[Al₂Sb₂O₇] consists of [Al₂Sb₂O₇]²⁻ layers containing Al³⁺ in a nearly regular tetrahedral and Sb³⁺ in a Ψ-tetrahedral environment of O ligands.

Dimeric copper(II) 3,3-di­methyl­butyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-di­methylbutyric acid

Dimeric copper(II) tri­methylsilyl­acetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) tri­methylsilylacetate

H⋯Br hydrogen bonding in trans-bis­(aceto­nitrile-N)tetra­aquacobalt(II) dibromide

Bis(μ-succinato-O,O′:O′′,O′′′)bis­[bis­(2-amino-1,3-benzo­thiazole-N³)copper(II)]

[Fe(C₁₂H₈N₃O₂)Cl₂(ROH)], with R = Me and Et

Disorder in the lactato group of (lactato-O,O′)bis­(tri­phenylphosphine-P)silver(I) corroborated by ³¹P two-dimensional CPCOSY NMR

Bis(N,N′-di­methylimidazol-2-yl­idene)mercury chlorotri­iodo­mercury di­methyl sulfoxide solvate

{Δ-1,4,7,10-Tetra­kis­[(S)-2-hy­droxy­propyl-κO]-1,4,7,10-tetra­aza­cyclo­dodec­ane-κ⁴N}cad­mium(II) 4-nitrophenolate per­chlor­ate hydrate

Bis[(μ-cyclo­pentylamino-N:N)di­methyl­aluminium(III)]

The cyclic vanadylacetate (C₂₄H₂₀P)[V₄O₈(C₂H₃O₂)₄(NO₃)]

fac-Tri­carbonyl[bis­(2-pyridylmethyl) ether-N,O,N′]molybdenum(0)

Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam

Potassium bis­(ethylenedi­amine)­copper(II) ferricyanide

μ-(4,4′-Bi­pyri­dine)-N:N′-bis­[bis-(pyrrol­idine­dithio­car­boxyl­ato-S,S′)zinc(II)]

Bis(thiosemicarbazide-S,N)zinc(II) dinitrate

7-{Di­phenyl­[(tri­phenyl­phos­phine)­aurio]­phos­phine(1+)-P}-8-methyl-7,8-dicarba-nido-undecaborate(1–) di­chloro­methane hemi­solvate

Bis(η⁵-iso­propyltetra­methylcyclo­pentadienyl)(tetra­hydroborato-κ³H,H′,H′′)(tetra­hydro­furan-O)-samarium(III): a lanthanidocene complex with a tridentate tetra­hydroborato ligand

Compositional disorder in trans-[RhBr_0.26Cl_0.74H(PMe₃)₄][B(1,2-O₂C₆Br₄)]·CH₂Cl₂

[(η⁵-C₅R₅)TiCl₂(η⁵-C₅H₄SiMe₂)]₂O·nCH₂Cl₂

Polysulfonylamines. CXX. Bis(tetra­hydro­thiophene-S)gold(I) benzene-1,2-disulfonimidate

Bis(1,2-di­amino­benzene-N)­bis­(1,1,1,5,5,5-hexa­fluoro­pen­tane-2,4-dion­ato-O,O′)­iron(II), -cobalt(II) and -nickel(II) at low temperature

A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione

cis- and trans-Di­chloro(3,6-di­hydro-1,2-oxazine-N)(di­methyl sulfoxide-S)-platinum(II)

(−)-Sparteine copper(II) di­acetate

Two 9-alkylthio­phenanthrenes at 193 K (alkyl = do­decyl and tetra­decyl)

Di-9-anthryl di­sulfide at 193 K

(−)-(1R,2S,2′R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclo­hexanol

(1R,2R)-2-(4-Methylene­cyclohex-2-enyl)propyl (1R,4S)-camphanate

3β-Acet­oxy-5α,6β-di­hydroxybisnorcholanic acid 2216 lactone

5-Amino-4-(4-di­ethylamino­phenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naph­thyridine-8-carbo­nitrile

Nimonol and 6-oxonimonol

Two (Z)-N-aryl-3-benzylideneisoindolin-1-ones

trans,trans-2-Cyano-5-(4-meth­oxy­phenyl)penta-2,4-diene­thio­amide

2,4-[2,2′-Methylenebis(4-nitrophen­oxy)]-2,4,6,6-tetra­chloro­cyclo-2λ⁵,4λ⁵,6λ⁵-triphosphazatriene (ansa)

4,4,4′,4′,7,7′-Hexa­methyl-2,2′-spirobichroman

5′-Allyl-2′-benzoyl­oxy-3′-meth­oxy-4-nitroazo­benzene

2-Tri­chloro­methylthio-1H-iso­indole-1,3(2H)-dione (Folpet)

9-Phenyl-3,4,4a,9a-tetra­hydrotri­ptycene and 9-phenyl-1,2,3,4,4a,9a-hexa­hydro­triptycene

11-Methylpyrido[2,3-b]acridine-5,12-dione

Very short F—H⋯F hydrogen bond in L-argininium fluoride hydrogen fluoride

Racemic iso­propyl 1,4-di­hydro-2,6-di­methyl-4-(6-methyl-2-pyridyl)-3-nitro­pyridine-5-carboxylate hemi­benzene solvate

Ammonium hydrogen squarate–water (3/2)

Cyclic lipoundecapeptide tensin from Pseudomonas fluorescens strain 96.578

5-Ethyl-2′-de­oxy-4′-thiouridine (R)-S-oxide monohydrate

α-Haloketal (1′R,4S,5S)-di­methyl 2-(1′-bromo­ethyl)-2-(3,4-di­methoxyphenyl)-1,3-dioxolane-4,5-di­carboxylate

Chlorotri­methylsilane

2,2′-Di­selenobis(4,4-di­phenylcyclohexa-2,5-dienone)

Notes for authors

Bismuth selenide iodide

BiSeI crystals were obtained by a chemical-transport reaction and were shown to be of the centrosymmetric SbSI structure type.

Tetra­kis­(2-methyl-2-phenyl­propyl)­stannane at 150 K

The crystal and molecular structures of (PhCMe₂CH₂)₄Sn at 150 K are essentially the same as those at 293 K but with shorter cell dimensions and smaller s.u. values on the cell and atomic parameters.

Hexa­aqua­magnesium(II) bis­[N-(6-amino-3,4-di­hydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)­glycinate] dihydrate

In [Mg(H₂O)₆](C₇H₈N₅O₄)₂·2H₂O, the Mg ion lies on an inversion centre with Mg—O distances in the range 2.0437 (10)–2.0952 (10) Å. The [Mg(H₂O)₆]²⁺ cations, the anions and the water mol­ecules are linked by an extensive hydrogen-bond network.

Bis­[S-methyl 3-(2-bromo­benzyl­idene)­dithio­cab­azato-N³,S]­platinum(II)

The Schiff base ligand in the title complex is deprotonated with respect to its tautomeric thiol form and is coordinated to the Pt^II atom via the mercapto-S and β-N atoms. The Pt^II coordination is square planar. The phenyl ring of the ligand is twisted out of the coordination plane by 31.8 (2)° due to the steric effect of the Br atom.

Bis(2,2′-bi­pyridyl-N,N′)­tris­(nitrato-O,O′)­neodymium

The title compound is isomorphous with the La and Lu analogues having three bidentate nitrate and two bipyridyl ligands, giving the metal atom a ten-coordinate bicapped dodecahedral environment. The average Nd—N and Nd—O bond lengths (2.596 and 2.549 Å, respectively) are shorter than the corresponding bonds of the La analogue reflecting the smaller ionic radius of neodymium. There is evidence that the non-coordinating O atom of the nitrate group lying formally on a crystallographic twofold axis is disordered on either side of the axis.

Bis­[3-(salicyl­idene­amino-O,N)propanolato]manganese(III) perchlorate

In the title complex, the Mn atom lies on an inversion centre and the Cl atom of the perchlorate anion is on a twofold axis. In the cation, the Mn atom has distorted octahedral coordination with distances Mn—N 2.206 (3) Å, Mn—O(phenolato) 1.871 (2) Å and Mn—O(propanolato) 2.300 (2) Å.

trans-Di­chloro­bis­(tri­phenyl­phosphine-P)­platinum(II)

Half-normal probability plots and r.m.s. calculations were used to compare two structural solutions of trans-[PtCl₂(PPh₃)₂] with each other, as well as with the isomorphous palladium compound. The geometrical parameters, including Pt—P = 2.3163 (11) Å and Pt—Cl = 2.2997 (11) Å, are compared with those of related phosphine and arsine complexes.

[Bis­(di­phenyl­phosphino)­alkane](pentane-2,4-di­thionato) complexes of nickel(II)

The structures of three four-coordinate nickel(II) complexes of the form [Ni(sacsac)(L)]PF₆ [sacsac is the pentane-2,4-di­thione anion; L = Ph₂P(CH₂)_nPPh₂, where n = 1, 2 or 3] have been determined. All have a distorted square-planar arrangement about the Ni atom, with angles varying with the length of the hydro­carbon chain.

4-Di­methyl­amino­pyridinium bromide

The packing of the title compound, which crystallizes in planes parallel to (100), is stabilized by a bifurcated N—H⋯Br hydrogen bond and short C—H⋯Br contacts. The crystal structure is not isostructural with that of 4-di­methyl­amino­pyridinium chloride.

(1R,2R)-1,2-Di­phenyl-1,2-bis­(8-quinoline­sulfonyl­amino)ethyl­enedi­amine–acetone (1/1)

The conformation of the title mol­ecule (BQSDA), a new chiral sulfon­amide ligand, is determined by a bifurcated N—H⋯N hydrogen-bond system. The acetone molecule of solvation is linked to the BQSDA mol­ecule by an N—H⋯O hydrogen bond.

Hexa­benzyl­benzene

Hexa­benzyl­benzene is located on a point of symmetry and has an ababab conformation (a and b denoting side-chain units projecting, respectively, above and below the plane of the aromatic core). The mol­ecule has symmetry quite close to C (S₆).

Taurine

The structure of taurine (2-amino­ethane­sulfonic acid) has been redetermined at 150 K and is compared with the structures of glycine and β-alanine which, like taurine, are enzymatically conjugated with bile acids.

3,3′-Dimesityl-7-methyl-9a-phenyl-4,4′,5,5′,6,8,9,9a-octa­hydro-7H-1,2,4-oxa­diazo­lo[4,5-d][1,4]­diazepine-8-spiro-5′-isoxazole

Condensation of mesito­nitrile oxide with 1,7-di­methyl-5-phenyl-2,3-di­hydro-1H-1,4-diazepine leads to two cyclo­adducts. The structure of one of these has been established crystallographically, identifying it as a spiro-tricyclic compound.

2-Nitro-N,N-bis­(2-nitro­phenyl­thio)­benzenesulfon­amide

The title compound is a product of the reaction of 2-nitro­benzene­sulfonyl chloride with N,N-diiso­propyl­ethyl­amine (DIEA) and hydroxy­lamine hydro­chloride. The central N atom is essentially planar, lying 0.071 (2) Å out of the plane defined by the three S atoms.

2-tert-Butyl­oxy­methyl-6-cyano-2,3-di­hydro-5H-oxazolo­[3,2-a]­pyrimidin-5-one

The condensation reaction of 2-amino-5-tert-butyl­oxy­methyl-2-oxazoline with ethyl cyano­(ethoxy­methyl­ene)­acetate led to the title cyclo­adduct. The structure indicates delocalization in the pyrimidine ring.

Di­ethyl [(2RS,5RS)-5-iso­propyl-2,3,3-tri­methylpyrrolidin-2-yl]­phos­phon­ate

The title mol­ecule has a trans stereochemistry for the methyl and iso­propyl groups in α positions with respect to the N atom.

Morpholinium dimorpholinidodi­thio­phosphate

The presence of traces of water in the reaction of pyridine­di­thio­monometa­phosphoryl chloride with 4-(tri­methyl­silyl)­morpholine resulted in the title compound.

A new tribridged imidazolium cyclo­phane

The title new cyl­indrical macrobicyclic imidazolium cyclophane has a mirror plane passing through the three imidazole rings. The Br⁻ anions are associated with two water mol­ecules by hydrogen bonding.