Potassium 2,4-di­chloro-6-nitrophenolate

In the crystal structure of the the title compound, each K⁺ ion is coordinated to five planar 2,4-dichloro-6-nitrophenolate anions through the O atoms. All the O atoms are involved in the sixfold coordination of potassium.

[N,N'-Bis(salicyl­idene)ethylenedi­amine](iso­thio­cyanato)oxovanadium(V)

The title compound, [VO(salen)(NCS)], was prepared by the reaction of [VO(salen)]NO₃ with KSCN. The structure was determined in order to observe the coordination of an isothiocyanate ion trans to an oxo O atom. There are two independent complex molecules in the crystal and they have similar distorted octahedral coordination geometries, with V—NCS distances of 2.218(6) and 2.300(5)Å.

2-Hy­droxy-3,4-di­meth­oxy-2-methyl-1,2,6,7,10,11-hexa­hydro-9H-cyclo­penta[jk]pyrrolo[2,1-b][3]benzazepin-1-one

The single-crystal structure of the novel title compound, an analogue of the alkaloid hainanensine which has significant antitumor activity, was determined by X-ray structure analysis. nobreak Hydrogen bonds connect the molecules in pairs.

Phenathridinium hydrogenselenate monohydrate

The crystal structure of phenathridinium hydrogenselenate monohydrate has been determined by single-crystal X-ray diffraction. The title compound was characterized using IR spectroscopy, powder diffraction and differential scanning calorimetry. No indication of unusual dielectric properties was found.

Acetic acid at 40K

The structure of the title compound was determined previously by Jones & Templeton [Acta Cryst. (1958), 11, 484] at T = 278 K using the Weissenberg technique, and twice by Nahringbauer [Acta Chem. Scand. (1970), 24, 453-462] at T = 278 and 93 K. The present redetermination at T = 40 K provides data of higher precision, reflected in s.u.'s which are about one third those of Nahringbauer.

Redetermination of 2-propenoic acid at 125K

The title compound belongs to the family of α,β-unsaturated carboxylic acids having a Z conformation. The packing is characterized by layers of O—H⋯O hydrogen-bonded dimers.

Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexa­hydro-3H-cyclo­penta[b][1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chloro­phenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexa­hydro-3H-cyclo­penta[b][1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate

The condensation reaction of 1,5-benzodiazepin-2-one with ethyl hydrazono-α-bromoglyoxylate in the presence of triethylamine is peri and regioselective, as indicated by the structures of the title cycloadducts. Moreover, these structures indicate that the dipole addition occurs in a unique way on the C=N double bond.

(+)-(1R,5S,6R)-1-[3-(9,9-Di­methyl-4,4-dioxo-4λ⁶-thiatri­cyclo[6.1.1.0^2,6]dec-2-en-5-yl)-2-tert-butyldi­methylsilyl­oxy-4,6-di­methoxyphenyl]-3-methylbutan-1-one methyl tert-butyl ether solvate at 133K

The absolute configuration of the title compound has been determined. The structure contains two independent molecules with very similar conformations. Torsion angles about corresponding bonds differ by less than 10°. The solvent molecule is not involved in short intermolecular contacts.

9-Hy­droxy-4-methyl-9,10-di­hydrobenzo[h]coumarin

Coumarin derivatives are used as antifungal compounds, anticoagulants and laser dyes. In the title compound, the dihydrobenzene ring adopts a half-chair conformation and the hydroxyl group is involved in an O—H⋯O hydrogen bond. The inversion-related molecules are stacked 3.446 (4) Å apart along the c axis.

3,4-Bis(2-chloro­phenyl)-1,2,4-1H-triazole-5(4H)-thione

In the title compound, one of the two chlorophenyl rings is disordered with the two different orientations nearly related by a 180° rotation around its bond with the triazole ring. The planar triazole ring makes dihedral angles of 81.1(2) and 78.4(4)° with the two phenyl rings. Around the inversion centre, the molecules exist as an N—H⋯ hydrogen-bonded dimer.

(E)-1,2-Bis(2-chloro­cyclopentenyl)ethene

In the title compound, the C=C double bond exists in an E configuration. The cyclopentenyl ring adopts a flattened envelope conformation. In the solid state, the molecules are stacked along the a axis.

2,4,6-Tri­iodo-1,3,5-tris­(tert-butyldi­methylsilyloxymethyl)benzene

The title compound has two crystallographically independent molecules in the asymmetric unit. In molecule B, all three tert-butyldimethylsilyloxymethyl side chains are positioned on the same side of the aromatic ring plane, but only two of them are on the same side in molecule A.

Two 3-substituted 5-nitro­indoles

3-(3-Bromopropyl)-5-nitro-1H-indole, C₁₁H₁₁BrN₂O₂, and 3-(3-hydroxypropyl)-5-nitro-1H-indole, C₁₁H₁₂N₂O₃, both have their propyl subunits in the synclinal–synclinal conformation. Bond distances to the terminal substituent on the propyl group are: Br—C 1.955(2) and O—C 1.428(2)Å.

Layer structure of (NH₄)CoPO₄

Ammonium cobalt orthophosphate hydrate, a synthetic analogue of the ineral niahite, forms two-dimensional four-connected nets of [CoO₆] octahedra sharing vertices. Each square mesh is capped by [PO₄] tetrahedra sharing an edge and a vertex.

Ba₃Mn₂O₈ determined from neutron powder diffraction

The structure of Ba₃Mn₂O₈ has been refined using powder neutron diffraction. It consists of MnO₄^3- tetrahedra separated by barium ions in six- and 12-fold coordination.

NH₄VO(NH₃)PO₄

A synthetic route to single crystals of monoclinic NH₄VO(NH₃)PO₄ has been found. The results of the single-crystal structure analysis are discussed.

Aqua(5,6-di­methyl-1,10-phenanthroline-N,N')(malonato-O,O')copper(II) hydrate

(5,5,7,12,12,14-Hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetradeca-1,4,8,11-tetra­ene-N,N',N'',N''')nickel(II) diperchlorate

Cubane tetrameric complexes of copper(I) chloride and bromide with tri­phenyl phosphite

μ-[1,1'-(1,2-Ethanediyl)bis­(1H-1,2,4-triazole)]-N⁴:N^4'-bis­{bis­[1,1,1-tri­fluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}

cis-Bis(2-amino-1,3-benzo­thiazole-N³)bis­(formato-O,O')copper(II)

Redetermination of (diazo­amino­benzene)copper(I) at 150K

Tri­chloro[methylenebis(di­phenylphosphine oxide-O)]antimony(III)

A binuclear cadmium(II) complex: bis­[bis­(N,N-diiso­propyldi­thiocarbamato)cadmium(II)]

trans-Di­aquabis(nicotinamide-N)bis­(salicylato-O)copper(II)

Penta­aqua(chelidonato-O⁴)copper(II) monohydrate

catena-Poly[[[bis­(1,3-di­amino­propane-N,N')nickel(II)]-μ-(4,4'-bi­pyridine-N:N')] diperchlorate]

Tri­carbonyl[1,1,1-tris­(di­methylphosphino­methyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes

Aquabis(2,2'-bi­pyridine-N,N')(perchlorato-O)manganese(II) perchlorate

A di­chloropalladium(II) complex with a mixed-donor bidentate ligand: di­chloro[2-(di­phenylphosphino)-1-(methylthio)ethane-P,S]palladium(II)

Bis(tetra­methylammonium) tetra-μ₃-sulfido-tetra­kis­[(2,2-di­methylpropane­thiolato-S)iron]: a heterocubane complex anion with crystallographically imposed 2m symmetry

Tris(tetra­ethylammonium) tetra-μ₃-selenido-tetra­kis­[(thiophenolato-S)iron]

Sodium copper(II) trimesate, [NaCu{C₆H₃(COO)₃}(H₂O)₄].2H₂O, a double-sheet coordination polymer with bridging aqua ligands

The homoleptic lithium complex [Li(CH₃CN)₄]ClO₄

Samarium 3,5-di­nitrobenzoate dihydrate

Tri­carbonyl[(6a,7,8,9,10,10a-η)-3,3-di­phenyl-3H-benzo[f]chromene]chromium

Hydrogen bonding in 4,4',6,6'-tetra­methylbi­phenyl-2,2'-di­carboxylic acid

Hydrogen bonding in 4-aminohippuric acid

Hydrogen bonding in (2R,3R)-(+)-2,3-di­methoxybutanedioic acid [(+)-tartaric acid di­methyl ether]

3-(3-Indolyl)acrylamide

Taraxerone

Flemiculosin, a novel chalcone

(S)-2-Hy­droxy-3-(1H-imidazol-5-yl)propanoic acid hydrate

A 1:1 complex of 4-nitro­pyridine N-oxide and 3-hydroxybenzoic acid

1-(tert-Butyl)-3-(2-pyridyl)thiourea

Three 3-arylsulfonyl-1,3-oxazolidines

cis-1,2,3,6-Tetra­hydrophthalic anhydride at 173K

Δ^8,9-De­carboxyfibleucin from Fibraurea chloroleuca Miers

1,4-Bis[4-(1-pyridinium)styryl]benzene di­tosylate

Two new compounds by reaction of taurolidine with methylene glycol

para-Acetoxyacetanilide

[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (C2/c) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene

Two (Z)-3-aryl(alkyl)ideneisoindolin-1-ones

2-tert-Butoxycarbonylamino-2-iso­propyl-4-pentenamide, a new conformationally restricted α,α-di­alkylglycine derivative

2,5-Di­chloro-1-(p-chloro­benzyl)-1H-benzimidazole

4-Chloro-2-[2-(di­methylamino)ethylamino­methyl]phenol and 2-[2-(di­methylamino)ethylamino­methyl]-6-methoxyphenol

2,5,8-Trioxa-16,20-di­azatri­cyclo[20.4.0.0^9,14]hexacosa-9,11,13,15,20,22,24,26-octa­ene

Tetrabenzo-24-crown-8

4-Hepta­methylene­imino-7-nitrobenzo-2-oxa-1,3-diazole

A 1-alkylated pteridine, C₁₅H₁₉ClN₆O₃

N-(p-Chloro­benzoyl)-N-methylaniline

2-Salicyl­idene­amino-4,5-bis­(2-furyl)furan-3-carbo­nitrile

Ethyl mustard oil sulfide hydrochloride

1,2:5,6-Di-O-iso­propyl­idene-α-D-gluco­furanosyl (S)-cyclo­hexanesulfinate

A 2:1 co-crystal of 5-(2-pyridyl)-1H-1,2,4-triazole and 1,4-di­hydroxybenzene

Isoavarol di­acetate

2-Benzyl-2-hydroxycyclo­hexanone