A new orthoborate, Sr₃Ga₃(BO₃)₄O(OH)

Sr₃Ga₃(BO₃)₄O(OH) represents a new ortho-borate structure type containing the uncommon square-pyramidal GaO₄OH unit.

Rb₃Ti₃Te₁₁

The title compound is composed of one-dimensional [Ti₃Te₁₁³⁻] chains built by face-sharing pentagonal TiTe₇ bipyramids and distorted TiTe₆ octahedra. These chains adopt hexagonal closest packing along the [101] direction. Rb atoms are located among these chains.

(2-Carbamoyl­ethyl)­bis­(di­methyl­glyoximato-N,N′)[(R)-1-(1-naphthyl)­ethyl­amine]­cobalt(III) ethanol solvate and bis­(di­methyl­glyoximato-N,N′)[2-(N-methyl­carbamoyl)­ethyl][methyl (S)-phenyl­alaninate-N]­cobalt(III)

The allyl complex di-μ-chloro-bis­{[(1,2,3-η)-4-oxo-5,5-di­methyl-1-(eth­oxy­carbonyl)­hexenyl]palladium(II)}

Chloro­bis­(tri­phenyl­phosphine)­nickel(I) tetra­hydro­furan solvate and an unsolvated trigonal phase of chloro­tris­(tri­phenyl­phosphine)­nickel(I)

trans-Bis­(benzyl­amine)­dichloro­palladium(II) bis­(di­methyl sulfoxide) solvate

[H₃N(CH₂)₅NH₃]·AlP₂O₈H, a one-dimensional aluminophosphate

The structure of the title compound, obtained solvothermally at 473 K, has been determined by single-crystal X-ray diffraction. It consists of one-dimensional [AlP₂O₈H]²⁻ macroanions, connected to each other by pentane­di­ammonium cations.

catena-Poly[[silver(I)-μ-[(E)-1,2-bis­(2-pyridyl)ethylene-N:N′]] nitrate]

Sodium 5-nitro-2-pyridonate trihydrate

Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel

Isolierte I₁₀²⁻-Ringe, ein neues Strukturelement in der Polyiodid-Chemie

Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer

A ruthenium(II) complex with p-cymene and (S)-2-(anilino­methyl)pyrrolidine

Chloro(2-{[5-(2-hy­droxy­benzyl-O)-1,5-di­aza-1-cyclo­octyl-N,N′]­methyl}phenolato-O)­cadmium(II)

A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium

A new three-dimensional open-framework germanate was hydro­thermally synthesized and its structure determined by single-crystal X-ray diffraction. The framework is built of [Ge₉O₂₂(OH)₄] units and contains intersecting channels in three directions formed by an eight- and two ten-membered rings.

Tris[(penta­fluoro­phenyl)tri­methyl­silylamido](tetra­hydro­furan)­samarium(III)

A complex containing both five- and six-coordinate [bis­(5-bromosalicyli­dene)benzene-1,2-di­imine]chloro­iron(III)

Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)₃]Te₄ and [Fe(en)₃]₂(Sb₂Se₅)

Benzo-cis-cyclo­hexano-14-crown-4 and its lithium thio­cyanate complex

Bis­[tris­(1,2-ethanedi­amine-N,N′)nickel(II)] tetra­thio­antimonate(V) nitrate

Two benzoyl­aminoacridinedione derivatives

2-(Nitro­methyl­ene)-1,3-dithietane

(6R*,16R*)-9,14-Di­hydro-6-methyl-6,16-methano-6H,16H-[2,4]benzo­thiazepino[3,4-d][1,3,5]benzoxa­diazocine hydrobromide di­methylformamide hemisolvate

3-[(2-Oxo-1-naphthyl­idene)methyl­amino]­benzoic acid

tert-Butyl N-{2-[N-(N,N′-di­cyclo­hexyl­ureido­carbonyl­ethyl)­carbamoyl]prop-2-yl}carbamate

4-[2-(4-Methoxyphenyl)ethenyl]-N-methylpyridinium tetra­phenylborate

3,5-Pyrazole­dicarboxylic acid monohydrate

Threefold interweaving of (4,4) nets built from R(58) rings in the hydrogen-bonded adduct 1,4-di­aza­bicyclo[2.2.2]octane–5-hy­droxy­isophthalic acid (1/1)

Solid-state transformation of 4,2′-an­hydro-5-(β-D-arabino­furan­osyl)­uracil dihydrate to 4,2′-an­hydro-5-(β-D-arabino­furan­osyl)­uracil mono­hydrate

Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate

C—H⋯π interactions in 9-(n-do­decylamino­methyl)­anthracene

Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline

4′-Vinyl-2,2′:6′,2′′-ter­pyridine

2,8-Di­hydroxy-1,3,7,9-tetra­methyl-6,12-di­hydro­dipyrido­[1,2-a:1′,2′-d]pyrazine­diyl­ium dichloride dihydrate

Ethyl 5-methyl-4-(2,5,5-tri­methyl-1,3-dioxan-2-yl)­isoxazole-3-carboxyl­ate

Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids

Two diastereomers of ()-cis-2-(3-oxo-1,3,4,5,6,7-hexa­hydro­isobenzo­furan-1-yl)cyclo­hexane­carboxylic acid

The 1:1 adduct of 4-amino­benzoic acid with 4-aminobenzo­nitrile

N-Methyl-DL-aspartic acid mono­hydrate

3,5-Bis[(N,N-di­methyl­amino)­methyl­ene­amino]-1-methyl-4-nitro­pyrazole from X-ray powder diffraction data

Azole. 44.

From α-carbamoyl-α-cyano­oxiranes to 3-halogenopyruv­amides

1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hy­droxy)methyl]-β-L-altro­furanose

3-(tert-Butyl­oxy­carbonyl­amino)­bicyclo­[1.1.1]­pentane­carboxylic acid at 293 K

(2R,3R,5R)-2-[(2R,3aS,6aR)-2,3,3a,4,5,6a-Hexa­hydro­furo­[2,3-b]­furan-2-yl]-5-isoprop­enyl-2,3-di­methyl­cyclo­hexanone and (4aR,5S,7R)-5-isopropenyl-7,8,8-tri­methyl-2,3,4,4a,5,6,7,8-octa­hydro­naphthalene-4a-carbo­nitrile

On the structure of cadmium iso­propylxanthate. Corrigendum

A full description for the structure of bis(O-iso­propyl­di­thio­carbonato)­cadmium(II) is presented

Cs₆Ta₄S₂₂

The new caesium tantalum chalcogenide Cs₆Ta₄S₂₂ was prepared from the reaction of Cs₂S₃, Ta and S. The compound is isotypic with Rb₆Ta₄S₂₂ and A₆Nb₄S₂₂ (A = Rb, Cs), and consists of discrete [Ta₄S₂₂]⁶⁻ anions and Cs⁺ cations.

μ-Aqua-penta­aqua­[μ-3,6-bis­(6-methyl-2-pyridyl)­pyridazine]­chloro­dinickel(II) trichloride trihydrate

The title binuclear nickel(II) complex has a slightly distorted octahedral coordination. The pyridazine and two methyl­pyridine rings of the bridging tetradentate ligand are coplanar to within 0.181 (3) Å.

Bis­(acetato-O)­tetra­kis­(imidazole-N³)­nickel(II)

In the title compound, the Ni atom is bonded centrosymmetrically by four N and two O atoms in a distorted octahedral coordination. The acetate ligands form intermolecular hydrogen bonds to imidazole moieties, giving rise to a two-dimensional layer structure.

catena-Poly­[[[bis­(perchlorato-O)­(1,10-phenanthroline-N,N′)­copper(II)]-μ-4,4′-bi­pyridine-N:N′] monohydrate]

The Cu atom in the title complex has an N₄O₂ octahedral coordination geometry, the Cu atoms being bridged by the bi­pyridine and chelated by the phenanthroline heterocycles. Adjacent mol­ecules are linked into a zigzag chain running along the c axis of the monoclinic unit cell. The chains are connected through lattice water mol­ecules to produce a layer structure.

trans-Tetra­aqua­bis­(5-fluorouracil-1-acetato-O)­zinc(II) tetrahydrate

In the title complex, the Zn atom is located at a center of symmetry and has a distorted octahedral geometry, with Zn—O distances in the range 2.052 (2)–2.181 (2) Å. Hydro­gen bonds involving the water mol­ecules make up a three-dimensional network.

Pentane and tetra­hydro­furan solvates of trans-di­chloro­bis­[1,2-ethane­diyl­bis­(di­phenyl­phos­phine)-P,P′]­molybdenum(II)

In the title crystals, (IIIa)> and (IIIb)>, respectively, the bonding parameters differ significantly. That also applies for the known structure of the corresponding di­chloro­methane solvate. Complex (IIIb)> has a crystallographic centre of symmetry.

catena-Poly­[[bis­(nitrato)(pyrimidine)­copper(II)]-μ-pyrimidine-N:N′]

The title compound crystallizes as a linear polymeric compound with one pyrimidine ligand bridging between two Cu^II atoms and a second pyrimidine ligand coordinated in a monodentate manner. The coordination geometry around the Cu^II atom is a distorted octahedron including a long Cu⋯O bond.

trans-Bis­[ethane-1,2-di­thiol­ato(2–)-S,S′]­bis­(2-mer­cap­topyri­dine-S)­tin(IV)

The title compound is a monomeric trans-octahedral complex, with the Sn^IV atom at the centre of symmetry, planar 2-mercapto­pyridine zwitter­ions and SnS₂C₂ groups in twist–envelope conformations. The 2-mercapto­pyridine ligands are monodentate.

Redetermination of hexa­carbonyl­(η⁵-cyclo­penta­dienyl)­bis­(μ₃-selenido)­diiron(II)­cobalt(II)

The structure of the title compound was redetermined and the correct C2/c space group was assumed instead of the previously reported P space group. The two independent mol­ecules reported for the triclinic cell are actually related by a twofold axis.

Bis(1-methyl­guanidinium) tetra­chloro­cuprate(II) and 4-(2-pyrimidin-1-io)­piperazinium tetra­chloro­cuprate(II)

The structures of the two title compounds consist of discrete [CuCl₄]²⁻ anions with two monoprotonated C₂N₃H₈⁺ cations for (I>) and a diprotonated C₈N₄H₁₄²⁺ cation for (II>). The [CuCl₄]²⁻ anions have flattened tetrahedral geometries.

[Tris(2-amino­ethyl)­amine-κ⁴N]chloro­(di­methyl sulfoxide-O)­cobalt(III) diper­chlorate

The title complex is the first crystal structure reported with di­methyl sulfoxide coordinated to Co^III. It crystallizes with two independent mol­ecules in the asymmetric unit. A localized non-crystallographic inversion centre is observed between the two cations.

[N-(Benzyl­idene)­aniline-N]­penta­carbonyl­chromium(0)

The imino ligand displays weak π-acceptor capabilities and, in contrast to Fischer-type carbene complexes, is not positioned on the bisecting line of the angle between two CO ligands.

cis,cis,cis-(Acetato-O,O′)­bis­[1,2-bis­(di­phenyl­phosphino)­ethane-P,P′]­ruthenium(II) hexa­fluoro­phosphate di­methanol solvate

The cation of the title complex consists of an Ru atom in a pseudo-octahedral coordination environment, with two chelating 1,2-bis­(di­phenyl­phosphino)­ethane (dppe) ligands and one chelating acetate ligand. The hexa­fluoro­phosphate anion and methanol solvate mol­ecules are unexceptional.

1,7,8-Tri-O-acetyl-6-O-benzoyl­castanospermine

The fused six- and five-membered rings adopt chair and twist conformations, respectively, in the title catanospermine derivative.

5,8,11-Trioxa-2,14-di­thia­bicyclo­[13.4.1]­icosa-1(19),15,17-trien-20-one

In the title compound, the tropone ring is at an angle of 50.3 (1)° to the crown ether. The conformation of the ethereal moiety is S(g)C(g)C(t)O(t)C(g)C(t)O(t)C(g)C(t)O(t)C(g)C(g)S (t = trans, g = gauche). The CH₂—O bonds are all trans, which is different to the case in the Hg complex of the title compound.

Clarithromycin hydro­chloride 3.5-hydrate

The absolute configuration was determined for the title compound. The cation contains a 14-membered macrocyclic lactone and two sugars, namely cladinose and desos­amine. The six-membered rings of the sugars adopt chair conformations.

3,5-Di­methyl-4-(2,4,6-tri­methyl­phenyl­diazenyl)­phenol

In the title compound, the dihedral angle between the two phenyl rings is 15.69 (6)°. An intermolecular hydrogen-bonding association exists between the hydroxy group and one of the azo N atoms.

3-Cyano-6-methyl-4-(2-naphthyl­ethenyl)-1-benzo­pyran-2-one

In the title compound, the naphthyl unit is planar and the benzo­pyran unit is nearly planar. These two moieties are inclined at an angle of 9.10 (6)° with respect to one another.

N-(p-Chloro­benzyl­idene)­phenyl­amine N-oxide

In the title compound, there are two independent mol­ecules in the asymmetric unit having essentially the same geometry, with central O—N—C—H torsion angles of −177.7 (1) and −178.4 (1)°, and with dihedral angles between the phenyl rings of 125.8 (6) and 126.1 (6)°.

3-(4-Bromo­phenyl)-2-(3,4-di­hydro-2H-pyran-5-yl)-1,1,1-tri­fluoro­propan-2-ol

The molecular structure of the title compound, which is an intermediate in the synthesis of tri­fluoro­methyl-substituted naphthalenes, adopts a bent conformation. Intramolecular O—H⋯F and intermolecular O—H⋯O interactions form a bifurcated hydrogen bond which produces a supramolecular assembly of head-to-tail dimers.

5-Fluoro­indoline-2,3-dione

In the title compound, the N atom of one mol­ecule is linked to the amido-O atom of an adjacent mol­ecule across a center of symmetry by a cyclic hydrogen bond [N⋯O = 2.888 (4) Å]. The mol­ecule is planar and all bond distances and angles are normal, except for the elongated C(=O)—C(=O) single bond of 1.554 (4) Å.

2-[2-(5-Nitro-2-thienyl)­ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitro­phenyl)­ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-di­meth­oxy-2-[2-(4-nitro­phenyl)­ethenyl]-4H-3,1-benzoxazine-4-one

The three title compounds, i.e. (I)–(III), respectively, are almost planar and show quite strong conjugation between the benzoxazine and nitro­aryl moieties, with the exception of the carbonyl groups, which deviate from the planes of the benzoxazine rings and cause significant deviation of the bond angles around the carbonyl C atoms from 120°.

rac-2,3-Di­bromo­succinic acid

In the title compound, the C—C—C—C torsion angle of the molecular skelton is −52.7 (4)° and the tertiary H atoms attached to the central C atoms are in a trans arrangement. The hydroxyl groups form hydrogen bonds with the carbonyl O atoms of neighbouring mol­ecules resulting in a three-dimensional framework.

Methyl­malon­amide and ethyl­malon­amide

In the title compounds, (I>) and (II>), respectively, the amide groups are rotated out of the central C—C—C plane by ca 76° in (I>) and by 70–73° in (II>). Compound (I>) has crystallographic mirror symmetry perpendicular to the molecular plane. There are N—H⋯O intermolecular hydrogen bonds in (I), and N—H⋯O and C—H⋯O intermolecular hydrogen bonds in (II), and each amide O atom acts as an acceptor in two hydrogen bonds.

3-Chloro­propion­amide

In the title compound, determined in order to obtain coordinates for molecular-orbital calculations, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into continuous two-dimensional sheets parallel to the (100) plane.

A second triclinic modification of 2′,6′-di­meth­oxy­flavone

The structure of a new triclinic modification of 2′,6′-di­methoxy­flavone is described. In total, it contains Z = 6 mol­ecules of three geometries characterized by different torsion angles of the substituted phenyl ring.

3,17-Dioxoandrosta-4,6-dien-11-yl acetate

The title compound is a steroid with a dienone structure and six stereogenic centers. The configuration of the 11 and 13 centres is R. These steroids are substrates for estradiol derivatives, bearing an alkyl chain in the 7α position.

L-Kynureninium sulfate dihydrate

The crystal structure of L-kynurenine, a well known tryptophan metabolite, has been determined as the sulfate. The mol­ecule has a trans zigzag carbon-skeletal conformation and the two amino groups are protonated. The two amino and the carboxyl groups are located on the same side of the mol­ecule. The crystal structure is stabilized by intermolecular hydrogen bonds involving the water mol­ecules and the sulfate ion.

sp-9-Acetyl­fluorene, the initial acetyl­ation product of 9-fluorenyl­lithium

The title compound is the initially formed product from acetyl­ation of 9-fluorenyl­lithium. Its structure is the sp rotamer whose acetyl group is not ro­ta­tion­ally restricted but whose C—C=O plane is essentially perpendicular to the fluorene ring, in contrast to 9-pivaloyl­fluorene, which is rotationally restricted and exists exclusively as its ap rotamer.

N-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetra­hydro­pyrimidin-5-yl)-N-(β-D-gluco­pyran­osyl)­acet­amide

The title compound shows no unusual features. The structure contains two mol­ecules of water of crystallization.