Cadmium copper tetrachloride tetrahydrate

Linear polymeric edge-sharing CdCl₆ octahedra are connected into sheets by bridging CuCl₄(H₂O)₂. Hydro­gen bonding completes a three-dimensional network.

Redetermination of the iron–zinc phase FeZn₁₃

The FeZn₁₃ structure has been redetermined using diffraction data from a single crystal prepared by a flux method. In addition to Zn₂ dumb-bells, the monoclinic cell contains Fe-centred Zn₁₂ icosahedra which form infinite chains by vertex-sharing. Chains of icosahedra are linked by octahedra-sharing and by vertex-to-vertex bonding.

Sn_4.4Mo₂₄O₃₈

The solid-state compound Sn_4.4Mo₂₄O₃₈ is the first reduced molybdenum oxide in which infinite oxygen–molybdenum chains based on two different trans-edge-shared Mo₆ octahedral clusters, i.e. dioctahedral Mo₁₀ and trioctahedral Mo₁₄ clusters, are present. The Sn²⁺ cations statistically occupy channels delimited by the Mo–O chains.

A new cluster complex, (NH₄)₆[Mo₄Se₄(CN)₁₂]·6H₂O, containing a tetranuclear mixed-valence molybdenum core

The title compound, hexa­ammonium tetra-μ₃-selenido-tetrakis(tri­cyano­molybdenum) hexahydrate, has cyclic hydrogen-bonded [{(NH₄)(H₂O)}₃]³⁺ cations and [Mo₄Se₄(CN)₁₂]⁶⁻ cubane cluster anions. The cation assembly consists of alternating ammonium and water mol­ecules linked by N—H⋯O hydrogen bonds. Cations and anions are linked together by hydrogen bonds involving terminal N atoms of CN groups.

Barium vanadium(III) hydrogen phosphate, Ba₃V₂(HPO₄)₆

The new crystal structure of Ba₃V₂(HPO₄)₆ consists of a three-dimensional network of vertex-sharing V^IIIO₆ and HPO₄ groups which surround tunnels occupied by 12-coordinated Ba²⁺ cations.

The monoclinic and cubic phases of metaboric acid (precise redeterminations)

In monoclinic β-HBO₂, endless zigzag chains are linked via an extensive system of hydrogen bonds with stronger major and weaker minor components. The unique three-dimensional tetrahedral network structure of cubic γ-HBO₂ is stabilized by very short asymmetric hydrogen bonds and possesses small empty cages.

Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyl­imino­propenyl)chloro(methyl)­aluminium bis­{[tetra­kis­(penta­fluoro­phenyl)­borato]­lithium} benzene solvate

(2,2′-Di­pyridyl sulfide-N,N′)hydroxybis(nitrito-O)(nitrogen monoxide-N)ruthenium(III)

Protonation products of penta­amino­pentane as novel building blocks for hydrogen-bonded networks

Chains of (4,4′-bi­pyridyl)copper(I) bridged by dimolybdate units

Bis­[bis­(di­ethyl­enetri­amine)­zinc(II)] hexa­cyano­ferrate tetrahydrate

(2,2′-Bi­pyridine-κ²N)­bis­[N-(2-pyridyl-κN)-p-toluene­sulfon­amido-κN]zinc(II)

Poly­[trans-di­aqua­manganese(II)-μ-(3-pyridine­carboxyl­ato-N:O)-μ-(3-pyri­dine­carboxyl­ato-O:N)]

Di­chloro­diethyl­bis­(pyridine-N)tin(IV)

trans-Di­aqua(C-meso-5,12-di­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-N,N′,N′′,N′′′)copper(II) dichloride dihydrate

The one-electron oxidation product of a metallocenyl-terminated cyanine

Copper(II) and zinc(II) complexes of pyridine-2,6-di­carboxylic acid

[2,6-Bis(3,5-di­methyl­pyrazol-1-yl­methyl-κN²)­pyridine-κN]bis­(thio­cyanato-N)copper(II)

One-dimensional chains in sodium tetra­phenylphosphonium bis­(2-mercapto-4-methylphenolato-O,S)oxovanadate(IV)

Tri­aquatris(μ-oxydi­acetato)dipraseodymium(III) pentahydrate and hexa­aquatris(μ-oxydi­acetato)dineodymium(III) oxydi­acetic acid solvate dihydrate

Aqua­tris­(1,10-phenan­throline)­(trans-2,3-di­methyl­acrylato)­ytterbium(III)

Bis­[N,N′-bis­(2,4,6-tri­methyl­phenyl)-1,2-ethanediyl­idenedi­amine]copper(I) tetra­fluoro­borate

Polymeric tetra­aqua­tris­(malonato)­dilanthanum(III) monohydrate

Complexes of di­methyl­tin dihalides with N-methyl­pyrrolidinone, C₁₂H₂₄N₂O₂X₂Sn (X = Cl, Br or I)

(N-Maleoylglycinato)tri­methyltin(IV)

trans-(2-Methyl­thio­benzoato-O)phenylbis­(tri­phenyl­phosphine)­palladium(II), two conformational isomers

[2-(Iso­propylthio)benzoato-O,S]phenyl(tri­phenylphosphine)palladium(II) tetra­hydro­furan solvate

6-Amino­nicotinic acid hydro­chloride

2-Amino derivatives of 5-nitro­phenyl­acet­amide

N-Piperonyl analogue of the atypical antipsychotic clozapine

2-Hydroxy-1-naphth­aldehyde 2-methyl­thio­semicarbazone

5,11,17,23-Tetra-tert-butyl-25,27-bis­(carb­oxy­meth­oxy)-26,28-bis­(2-meth­oxy­eth­oxy)calix­[4]­arene–methanol (1/1)

5-Amino-6-phenyl-1,6-di­hydro­pyridazin-3(2H)-one

N,N′-Bis(2-tosyl­amino­benzyl­idene)-1,2-ethanedi­amine

N-Benzyl-2′-iodo­cinnamanilide and N-benzyl-2′-iodo-4′-methyl-2-phenyl­cinnamanilide

()-9-(2-Bromo­phenyl)-7,7-di­methyl-1,3,4,5,6,7,8,9-octa­hydrofuro[3,4-b]quinoline-1,8-dione

2-Bromo-5-hy­droxy­benz­aldehyde

(m-CH₃C₆H₄NH₃)₆P₆O₁₈

(1S,4R,5R,6R)-6-Methoxycarbonyl-4-pivaloyl­oxy-2-(pivaloyloxymethyl)bi­cyclo[3.1.0]hex-2-ene-1-carboxylic acid

6-(1-Hydroxy-2,2-di­phenyl­ethyl)-4,4-di­phenyl-2-cyclo­hexen-1-one

3,5-Di­amino-6-(2-fluoro­phenyl)-1,2,4-triazine–di­methyl­form­amide (1/1)

Intermolecular interactions in the chiral and racemic forms of 3-hy­droxy-2-(1-oxoisoindolin-2-yl)­butanoic acid derived from threonine

Costuslactone B

7-Oxobi­cyclo­[2.2.1]­heptane-1-carboxylic acid and ()-7-oxobi­cyclo­[2.2.1]­hept-5-ene-2-endo-carboxylic acid: hydrogen bonding in two norbornyl keto acids

Azinyl sulfides. L.

Two tetra­hydro­furan solvates of HN(SePPh₂)₂

25,27:26,28-Bis(3,9-dioxa-6-aza­undecane-1,11-di­oxy)­calix­[4]­arene tetrahydrate

2,6-Bis[bis­(2-pyridinio­methyl)amino­methyl]-4-tert-butylphenol dichloride diperchlorate hydrate

A new precursor for the synthesis of porphyrazine: 2,3-bis­(4-methyl­phenyl)­maleo­nitrile

A novel class of fused heterocycles, benzo­[b]­furo­[2,3-c]­pyrroles

An angularly fused three-ring precursor to phytuberin

N-Ethylazatribenzo-21-crown-7

4-Chloro­aceto­phenone [1-(4-methoxyphenyl)­ethyl­idene]­hydra­zone

A single-crystal neutron diffraction study of RbTiOAsO₄

The rubidium titanyl arsenate structure has been reinvestigated giving a structural model with well defined oxy­gen sites and reasonable displacement parameters.

Tetrapotassium disodium decavanadate(V) decahydrate

The title compound was obtained while attempting to produce N-salicyl­idene­tyrosinate oxovanadium complexes at pH ∼ 5 and probably resulted from the slow oxidation of V^IVO²⁺ by atmospheric oxy­gen. Several decavanadate salts have been obtained under similar conditions.

Redetermination of [Ni(NH₃)₆]Cl₂ at 173 K

The structure of hexaamminenickel(II) dichloride, originally determined at room temperature, has been redetermined at 173 K. There are no significant differences between these structures.

[{Me₄C₂(C₅H₄)₂}Zr(BH₄)₂], a bis­(tetra­hydro­borate) complex of a bridged zirconocene

The title compound, bis­(tetra­hydro­borato)­[1,1,2,2-tetra­methyl-1,2-ethyl­enebis(η⁵-cyclo­penta­dienyl)]­zirconium, was obtained from the reaction of the zirconocene dichloride with lithium tetra­hydro­borate. The mol­ecule adopts an approximate C_2v symmetry. Both tetra­hydro­borate ligands are η²-coordinated and tilted by 18–19° out of the equatorial plane.

trans-Di­aqua­bis­(N-acetyl­anthranilato-O,O′)copper(II)

The title complex shows a square-planar coordination and has an inversion centre at the Cu atom. The carboxyl­ate group of the N-acetyl­anthranilate ion acts as a monodentate donor ligand to copper and as an acceptor of an intramolecular hydrogen bond from the coordinated water mol­ecule.

catena-Poly­[[tetra­kis­(μ-2,2-di­methyl­propionato-O:O′)­dicopper(II)]-μ-dioxane-O:O′] and catena-poly[[tetra­kis­(μ-3,3-di­methyl­butyrato-O:O′)­dicopper(II)]-μ-dioxane-O,O′]

The two title compounds are isomorphous. The binuclear Cu^II units have a cage structure and are linked by dioxane mol­ecules to form a zigzag chain along the c axis. The binuclear copper unit and the dioxane ligand each has an inversion centre.

Hexa­kis­(antipyrine-O)­terbium(III) triperchlorate

In the title compound, the Tb atom of the trianionic cation lies on a site of crystallographic symmetry and the unique Tb—O distance is 2.278 (2) Å. One of the perchlorate anions has threefold crystallographic symmetry, while the other is disordered about a site.

Bis­[N,N-bis­(2-hy­droxy­ethyl)­dithio­carbamato]­dimethyl­tin(IV)

The title compound has crystallographic mirror symmetry and the coordination polyhedron around the Sn atom is a tetrahedron [C—Sn—C 139.3 (2)° and S—Sn—S 82.3 (1)°] distorted towards a skew-trapezoidal bipyramid owing to an intramolecular Sn⋯S contact [3.0427 (6) Å]. The mol­ecules are linked into a linear chain by intermolecular O—H⋯O hydrogen bonds [O⋯O 2.646 (3) Å].

Orthorhombic modification of tri­phenyl­tin 3-ureidopropionate

The Sn atom in the title compound is five-coordinate and has a trans-C₃SnO₂ trigonal-bipyramidal geometry arising from bridging through the O atom of the ureido fragment of an adjacent carboxyl­ate group. Infinite chains propagate helically along the c axis and adjacent chains are linked by N—H⋯O hydrogen bonds into layers.

A highly functionalized ferrocenyl­pyrazolo­[2,3-a]­pyridine

The crystal structure analysis of the substituted ferrocene complex 2-[2-(4-bromo­phenyl)-4-cyano-5-ferrocenyl­pyrazolo­[2,3-a]­pyridin-7-yl]­aceto­nitrile shows that the pyrazolopyridine ring system, the bromo­phenyl ring and the cyclo­penta­diene ring are nearly planar.

2,3,4,5-Tetra­kis­[(2-hy­droxy­ethyl)­thio]­tetra­thia­fulvalene tetra­fluoro­borate

Two centrosymmetrically related donors in the title charge-transfer complex form a face-to-face π-dimer with a strong intermolecular S⋯S interaction, and the π-dimers stack to form a donor column. The structure is extensively hydrogen bonded.

2,2′-Bi(9,9-di­hexyl­fluorene)

In the title compound, a luminescent fluorene dimer, the substituent chains lie on one side of the mol­ecule. Ring planes of neighbouring mol­ecules are approximately perpendicular so that there is no π-stacking.

Pyridinium di­hydrogenmono­thio­phosphate

In the reaction of pyridine di­thio­monometa­phospho­ryl fluoride with ethyl­di­phenyl­phospine, the title compound was formed as a by-product due to traces of water in the system.

A monoclinic polymorph of bis­(tert-butyl­per­thio­phosphonic) dianhydride

In comparison with the known orthorhombic polymorph of the title compound, the crystal structure of the monoclinic polymorph reported here is more closely packed.

Caulerpin

The crystal structure of the indole alkaloid caulerpin, previously reported in space group Cc, has been redetermined in the correct space group, C2/c. The mol­ecule has twofold crystallographic symmetry and is composed of two essentially planar indole groups fused to an eight-membered cyclo­octatetraene ring which adopts a boat conformation.

Tri­benzyl­phosphine oxide

The title compound has crystallographic threefold symmetry, with the P—O bond along the threefold axis. Main dimensions include P—O 1.488 (4), P—C 1.823 (3) Å and O—P—C 114.7 (1)°.

N-Acetyl-L-phenyl­alanine

In the title compound, the crystal packing shows that the mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds.

Bis­[2-(di­phenyl­phosphinoyl)­benzene] di­sulfide

The title compound, obtained by electrochemical oxidation of 2-(di­phenyl­phosphino)­benzene­thiol, has twofold crystallographic symmetry. Principal dimensions include S—S 2.0212 (15) Å, S—C 1.786 (3) Å and C—S—S—C 81.34 (14)°.

The low-temperature study of D- and DL-camphoric anhydride

Although the two enantiomers crystallize in different space groups, the cell volumes, densities and the packing of the racemic and chiral structures are essentially the same. The main difference in the molecular stuctures can be described by the torsion angles associated with the H atoms of the methyl substituents.

A T-shaped selenenyl halide

3-Iodo-2-phenyl-3H-3-selenaindazole has an almost planar conformation and a nearly ideal T-shape for the Se(INC) moiety [Se—I 2.8122 (12), Se—C 1.881 (7) and Se—N2 2.051 (6) Å; C—Se—N 79.6 (3), C—Se—I 96.8 (2) and N—Se—I 176.17 (17)°]. This arrangement, together with the two selenium lone pairs, leads to a distorted trigonal-bipyrimidal geometry about the Se atom.

trans-1-Cyano-2-(2-meth­oxy­phenyl)-1-nitro­ethyl­ene

The π-conjugated mol­ecule of the title compound is almost planar. Molecules in the crystal are packed in stacks with antiparallel molecular orientation and slightly alternating distances [3.37 (7) and 3.41 (8) Å] between mean molecular planes.

7,7-Di­chloro-1,6-di­methyl-2-oxa-5-thia­bicyclo­[4.1.0]­heptane 5,5-dioxide and 6-chloro-2,3-di­hydro-7-methyl-5-methyl­ene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide

The structures of a 2-oxa-5-thia­bi­cyclo­[4.1.0]­heptane derivative, (I>), and a 2H,3H,5H-1,4-dithiepine derivative, (II>), are reported. The six-membered ring in (I) has an envelope conformation and the seven-membered ring in (II>) adopts a chair conformation.

Bis­(di­cyclo­hexyl­ammonium) adipate monohydrate

In the asymmetric unit of the title compound, 2C₁₂H₂₄N⁺·C₆H₈O₄²⁻·H₂O, the carboxyl­ate anion lies about an inversion center, the water mol­ecule is on a twofold axis and the sec-ammonium cation is in a general position. Cations link the oxy­gen ends of two adjacent carboxyl­ate anions to form an eight-membered ring. The ion pair propagates as a linear chain and adjacent chains are linked through the water mol­ecules into layers.

Bis(N,N-di­methyl­thio­carbamoyl­thio)­acetic acid

The title compound exists in the solid state as a centrosymmetric hydrogen-bonded dimer [O⋯O 2.661 (3) Å].

Sparfloxacin, an antibacterial drug

The title compound is an antibacterial drug. The mol­ecule, which crystallizes as a trihydrate, is in the zwitterionic form in the solid state. Hydro­gen bonds stabilize the mol­ecules in the lattice.