Na₂Co(H₂PO₄)₄·4H₂O

The framework of Na₂Co(H₂PO₄)₄·4H₂O is built up from cobalt complex ions of the form [Co(H₂PO₄)₄(OH₂)₂]²⁻ connected via hydrogen bonds.

KNi₃(AsO₄)(As₂O₇)

KNi₃(AsO₄)(As₂O₇) has a three-dimensional open anionic framework comprised of NiO₆ octahedra, AsO₄ tetrahedra and As₂O₇ groups sharing corners and edges. These delimit parallel tunnels running aong the b direction in which the K⁺ ions are located.

Tetraammine(selenito-O,O′)cobaltate(III) nitrate monohydrate

A three-dimensional hydrogen-bonded network exists between [Co(SeO₃)(NH₃)₄]NO₃ and the water mol­ecule. The nitrate anion and water mol­ecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO₃)(NH₃)₄]⁺ cations.

Alkaline positions in CsTiOAsO₄

A re-investigation of the caesium titanyl arsenate room-temperature structure using a single-domain crystal shows that there is a substantial disorder of the Cs atoms over additional sites.

Rerefinement of K₂[TiF₆]

The crystal structure of the title compound is built up from face-sharing TiF₆ antiprisms and KF₁₂ polyhedra. The compound seems to be optically isotropic at approximately 720 nm.

A binuclear manganese(II) complex, deca­aqua(μ-1,2,4,5-benzene­tetra­carboxyl­ato-O¹:O⁴)­dimanganese(II) hydrate

The dimeric mixed-ligand titana­carborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe₃)-2,3-C₂B₄H₄]₂

Three complexes of bis­(N-methyl­benzo­hydroxamato-O,O′)copper(II)

trans-(4-Amino-2,2,6,6-tetra­methyl­piperidine-N⁴)bis­(pentane-2,4-dion­ato-O,O′)(tri­phenylphosphine-P)cobalt(III) hexa­fluorophosphate di­chloro­methane solvate

Sodium di­hydrogen tris­(cyclo­propane­carboxyl­ate)

1,2:1,3-Bis(μ-p-toluato-O:O′)-1-(tri­phenylphosphine-P)-1-ruthena-closo-undecaborane

(Z)-Bis{μ-[1-(2-naphthyl­methyl­oxy)propan-2-iminato-O,N:N]}bis­[bromobis(tetra­hydro­furan-O)magnesium] di­toluene solvate

Tris(2,2′-bi­pyridyl-N,N′)­nickel(II) thio­sulfate heptahydrate

Calcium(II) meso-2,3-di­phenyl­succinate heptahydrate

A binuclear rhodium(I) complex with two tetraphosphine ligands at 100 K

Bis(4-hy­droxy-3-meth­oxy­benz­alde­hyde thio­semicarbazonato-N¹,S)nickel(II) tetra­ethanol solvate

Bimetallic assemblies, [Ni(en)₂]₃[M(CN)₆]₂·3H₂O (en = H₂NCH₂CH₂NH₂; M = Fe, Co)

Chloro­bis­[4,4-bis­(hy­droxy­methyl)-2-(2-pyridyl)-4,5-di­hydro­oxazole-N,N′]copper(II) chloride hemi­hydrate

Anhydrous polymeric zinc(II) octanoate

[η⁵,σ-3,3-Di­methyl-1-(2,3,4,5-tetra­methyl­cyclo­penta­dienyl)­but-1-en-2-amino](η⁵-penta­methyl­cyclo­penta­dienyl)titanium

Di­chloro(tetra­hydro­furan-O)[(tri­methylsilyl)amido-N]gallium(III)

A 1:1 cocrystal of di-μ-chloro-bis­{[N-(1-hy­droxy­but-2-yl)­salicyl­idene­iminato-N,O,O′]copper(II)} monohydrate and its methanol solvate

[Ferrocene-1,1′-diyl­bis­(diiso­propyl­phosphine-P)]bis­(phenylthio)palladium(II)

[1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octa­hydro-3-hy­droxy-1,1,2,5-tetra­methyl-7-methylene-6H-cyclopropa[3,4]cyclo­hept[1,2-e]inden-6-one

N-Méthyl succinimide

13H-Dibenzo­[a,i]­fluoren-13-one

Tris(2-cyano­ethyl) isocyanurate

2,5-Bis(methylthio)-1,4-benzo­quinone and 2-methyl-3-(methylsulfonyl)benzo[b]thiophene

Strong intramolecular O—H⋯O hydrogen bonds in quinaldic acid N-oxide and picolinic acid N-oxide

2′,3′-Dide­hydro-3′-de­oxy­thymidine N-methyl-2-pyrrolidone solvate (D4T·NMPO)

1,3(R):4,6(R)-Di-O-benzyl­idene-D-mannitol

Bis(di­ethoxyselenophosphinoyl) tris­elenide and bis­(diisopropoxyselenophosphinoyl) diselenide

Two new conformationally restricted 4,5-di­hydroxynorvaline analogues with a norbornane skeleton

3-[4-(3,4-Di­methyl­phenyl)-1,3-thia­zol-2-yl]-2-(2-hy­droxy­phenyl)-1,2,3,4-tetra­hydro­quin­azolin-4-one

Gallic acid monohydrate

1,3:16,18-Bis­(xylyl)-30-crown-8

2,2,5,5,8,8-Hexa­methyl-2,3,5,6,7,8-hexa­hydro­imidazo­[1,2-a]­pyrazine-3,6-dione, a bicyclic product of α-amino­isobutyric acid condensation

Polyhedral aza­borane chemistry, 6-(C₅H₅N)-arachno-4-NB₈H₁₁

2,4,4-Tri­methyl-2-phenyl-3-pentanone oxime

5-Nitro-N-phenyl-2-thio­fur­amide

cis-Bis(2,2′-bi­pyridyl-N,N′)dichlorosilicon diiodide

Complexes of mixed silicon halides with 4-picoline

trans-Di­chloro­tetra­kis­(4-methyl­pyridine)­silicon bis­(triiodide) chloro­form solvate

Asperuloside monohydrate

O—H⋯O, C—H⋯O and C—H⋯π_arene intermolecular interactions in (2S)-2-(1-oxo-1H-2,3-di­hydroisoindol-2-yl)pentanoic acid and (2S)-3-methyl-2-(1-oxo-1H-2,3-di­hydroisoindol-2-yl)butanoic acid

Disodium chromium(III) hexamolyb­doiodate(VII) 24-hydrate, Na₂Cr[IMo₆O₂₄]·24H₂O

In the title compound, the anion has the I atom on an inversion centre and exhibits non-crystallographic symmetry close to m. The cations are bonded exclusively to water ligands, in contrast to the situation in the disodium cobalt(II) salt [Rosu & Dickman (1999). Acta Cryst. C55, 11–13].

μ-Oxo-bis­{{2,2′-[2,2-di­methyl­propane-1,3-diyl­bis­(nitrilo­methyl­idyne)]­diphenolato}­oxo­rhenium(V)}

The title compound contains a linear [Re₂O₃]⁴⁺ core and hexacoordinate Re^V atoms. There is an inversion centre at the central bridging O atom. There is an inversion centre at the central bridging O atom. The distorted octahedral coordination of the Re^V atom consists of an N₂O₂ donor set from the tetradentate imine–phenol ligand.

An N-unprotected Fischer pyrrolidinyl­idene complex

The crystal structure of penta­carbonyl­(pyrrolidin-2-yl­idene)­chromium(0) shows strong interaction between the lone pair at nitro­gen and the carbene C atom, and a weak intermolecular hydrogen bond between N—H and a carbonyl ligand.

catena-Poly­[fac-tri­chloro­methyl­tin(IV)-μ-[meso-1,2-bis­(phenyl­sulfinyl)­ethane-O:O′]]

In the title compound, [SnCl₃(CH₃)(C₆H₅SOCH₂)₂]_n, determined as part of structural studies on adducts of halide–organotin compounds with sulfoxide derivatives, the octahedral Sn^IV centres are bridged by meso-1,2-bis­(phenyl­sulfinyl)­ethane ligands forming infinite chains along the [100] direction.

Bis­(tri­ethanol­amine-O,O′)­nickel(II) di­acetate

The title compound is isostructural with the copper(II) analogue. The structure consists of complex cations linked by hydrogen bonds to acetate anions.

(p-Nitro­benzoato)­tri­phenyl­tin at 298 K

The structure of the title compound at 298 K is virtually identical to the 173 K structure reported previously [Weng, Das & Robinson (1990). Malays. J. Sci. 12, 57]. The primary coordination of the Sn atom in both mol­ecules of the asymmetric unit is in the form of a distorted tetrahedron. The distortion towards a trigonal-bipyramidal arrangement is brought about by a weak interaction between the Sn atom and the carbonyl O atom of the benzoate moiety.

Penta­carbonyl(di-2-pyridyl­amine)tungsten(0)

In the structure of the title compound, the W atom is octahedral with one axial and four equatorial carbonyl groups, and with an axial monodentate dipyridyl­amine ligand having the secondary amine NH and the uncoordinated pyridyl N atom directed towards and away from the W atom, respectively.

Bis­(1-acetonyl­pyridinium) pyridinium hexa­iodobismuth(III)

The crystal structure of the title complex, studied as part of a systematic investigation of Mo(W) main-group hybrid clusters, contains discrete [BiI₆]³⁻ anions together with (HNC₅H₅)⁺ and (CH₃COCH₂NC₅H₅)⁺ cations separated by normal van der Waals contacts. The [BiI₆]³⁻ anion has the Bi atom on an inversion centre. The (HNC₅H₅)⁺ cation also lies about an inversion centre and is disordered. The (CH₃COCH₂NC₅H₅)⁺ cation lies in a general position.

Bis­[bis­(N,N-di­ethyl-1,1-di­seleno­car­bam­ato)copper(II)], [Cu(Se₂CNEt₂)₂]₂

The title centrosymmetric copper(II) binuclear complex, prepared to observe how C—Se bonds are activated by transition metal active centers, is built from two symmetry-related [Cu{Se₂CN(Et)₂}₂] units by pairs of Cu—Se bonds. The coordination geometry at the unique Cu atom is distorted square pyramidal, displaying Cu—Se distances ranging from 2.4091 (11) to 2.9095 (10) Å.

[1,2-Di­phenyl-N,N′-bis­(salicyl­idene)-(RR,SS)-1,2-ethane­diyl­diamin­ato]­nitrido­manganese(V)

The title compound has a distorted square-pyramidal coordination with an Mn N bond length of 1.516 (2) Å at the apical position. The central five-membered chelate ring adopts a gauche conformation with the two phenyl groups in equatorial orientations.

The exo and endo isomers of [N,N′-bis­(salicyl­idene)-1,2-di­phenyl-(RS,SR)-1,2-ethane­diyl­diamin­ato]­oxo­vanadium(IV)

The title complexes show monomeric structures with a distorted square-pyramidal coordination. The two phenyl groups on the central five-membered chelate ring are both on the same side of the oxo ligand for the exo> isomer and on the opposite side for the endo> isomer.

exo-[N,N′-Bis(3-tert-butyl­salicyl­idene)-1,2-di­phenyl-(RS,SR)-1,2-ethane­diyl­diaminato]­oxovanadium(IV)

The title mononuclear oxovanadium(IV) complex has a distorted square-pyramidal coordination. The complex was shown to be the exo> isomer.

Tris(1,10-phenanthroline-N,N′)­iron(II) di­thio­cyanate tri­hydrate

The title mononuclear iron(II) complex has a slightly distorted octahedral coordination. One of the thio­cyanate ions and one of the water mol­ecules of crystallization show positional disorder.

Tetra-μ-acetato-O:O′-bis­[(7-aza­indole-N)­copper(II)]

The title complex shows a binu­clear cage structure having an inversion centre. There are intramolecular N—H⋯O hydrogen bonds between the 7-aza­indole ligands and the bridging acetate O atoms.

μ-Acetato-O:O′-bis­{[bis­(salicyl­idene)­ethyl­ene­diamin­ato]manganese(III)} per­chlorate

In the title complex, two [Mn(salen)] moieties are connected through a μ-acetate bridge in a syn–anti fashion. The Mn⋯Mn distance is 5.365 (1) Å.

μ-Chloro-bis­{[benzylbis(2-pyridyl­methyl)­amine-κ³N]­chloro­copper(II)} perchlorate hemi­hydrate

In the title dinuclear Cu^II compound, the coordination geometry around the Cu atoms is square pyramidal, with the bridging Cl atom at the apical positions. The Cu—Cl—Cu angle is 136.9 (1)° and the Cu⋯Cu distance is 4.961 (1) Å.

[N′-Benzoyl-N,N-bis­(2-pyridylmethyl-κN)­ethyl­enedi­amine-κN]chloro­copper(II) hexa­fluoro­phosphate

The title mono­nuclear copper(II) complex shows a distorted square-planar coordination. The benzoyl­amino N atom does not coordinate to the Cu atom and is involved in a weak bifurcated hydrogen bond with two F atoms of the hexa­fluoro­phos­phate anion.

[1,6-Bis(2-pyridyl­methyl)-2,5-di­aza­hexane-κ⁴N]­chlorocopper(II) per­chlorate

The title mononuclear copper(II) compound shows a slightly tetrahedrally distorted square-pyramidal coordination with the chlorine ligand at the apical position. The directions of the two N—Me bond axes are syn with respect to the Cu—Cl bond.

Chloro­[N′,N′-di­ethyl-N,N-bis­(2-pyri­dyl­methyl)­ethyl­enedi­amine-κ⁴N]copper(II) perchlorate

The title mononuclear copper(II) complex shows a square-pyramidal coordination with the diethyl­amino N atom at the apical position. Large anisotropies in the displacement parameters of the non-H atoms of the ligand seem to be due to rotational disorder of the ClO₄⁻ anion.

[N,N′-Bis(3-carb­oxy­salicyl­idene)-1,2-di­phenyl-(RR,SS)-1,2-ethanediyl­diaminato-O,N,N′,O′]­(methanol-O)oxovanadium(IV) and [N,N′-bis­(3-carb­oxy­salicyl­idene)-2,3-di­methyl-2,3-butanediyl­diaminato-O,N,N′,O′]oxo­vanadium(IV) mono­hydrate

The two title mononuclear oxovanadium(IV>) complexes, (I>) and (II>), respectively, have distorted square-pyramidal coordination and the 3-carboxy groups form intramolecular O—H⋯O hydrogen bonds with the coordinated salicyl O atoms. In complex (I>), the methanol ligand coordinates to the V atom trans with respect to the oxo ligand and is involved in an intermolecular O—H⋯O hydrogen bond.

Redetermination of bis­{[(2-hy­droxy­phenyl­methyl)­bis­(2-pyridyl­methyl)­aminato]copper(II)} diperchlorate

The structure of the title copper(II) complex has been redetermined from an untwinned crystal. The structure was originally reported with insufficient accuracy because of a twinning problem [Adams, Bailey, Campbell, Fenton & He (1996). J. Chem. Soc. Dalton Trans. pp. 2233–2237]. The dinuclear phenolate-bridged Cu^II complex, which displays a long Cu–phenolic O atom bond, has an inversion centre.

Ethyl­ammonium and di­ethyl­ammonium salts of chloranilic acid

In the crystals of the two title salts of chloranilic acid, the chloranilate ions are present as hydrogen-bonded dimers lying about inversion centres. The ethyl­ammonium and diethyl­ammonium ions link the dimers through N—H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bond network in one structure and a one-dimensional chain in the other.

Methyl 3-para-anisyl-4-(2-hy­droxy­benzoyl)­isoxazole-5-carboxyl­ate

The title compound contains a planar isoxazole ring. An intramolecular hydrogen bond is formed between the OH group attached to a phenyl ring and a carbonyl O atom.

N-(p-Chloro­phenyl)-3,3-di­phenyl-4-(β-phenyl­styryl)azetidin-2-one

In the title compound, the β-lactam ring is essentially planar. The C—C bond opposite the lactam C—N bond is significantly lengthened to 1.591 (2) Å because of the ring substituents.

A novel heterocyclic sulfon­amide: N-benzyl-5-[N-benzyl-N-(tert-butyl­oxy­carbonyl)­amino]-N-(tert-butyl­oxycarbonyl)-1,3,4-thia­diazole-2-sulfon­amide

The study of acetazol­amide-derived sulfon­amides has led to the preparation and crystallographic characterization of a new member of this family of compounds with potential carbonic anhydrase inhibitory properties.

A new amidrazone derivative with anti­mycobacterial activity

The title compound, N¹-[4-(1,1-di­methyl­propyl)­benzyl­idene]­pyridine-2-carbox­amid­ra­zone, is a particularly active anti­myco­bac­terial agent. Its aromatic rings are linked by a fully extended chain, with only small twists. The amino group makes intra- and inter­molecular N—H⋯N contacts.

1-Chloro-1,1-di­fluoro-N-(4-meth­oxy­phenyl)-3-(pyrrolidin-2-yl­idene)­propan-2-imine

In the title compound, the Z configuration has been confirmed. The molecular structure shows an intramolecular N—H⋯N hydrogen bond which could be responsible for the Z configuration.

(1R*,11R*)-Bi­cyclo­[9.4.1]­hexa­decane-12,16-dione

The structure analysis of the title macrobicyclic 1,3-diketone establishes a trans configuration of the two fused rings.

2(S)-Amino-3-[1H-imidazol-4(5)-yl]­propyl cyclo­hexylmethyl ether di­hydro­chloride and 2(S)-amino-3-[1H-imidazol-4(5)-yl]­propyl 4-bromo­benzyl ether di­hydro­chloride

The title mol­ecules, (I>) and (II>), respectively, exhibit different hist­amine H3-receptor activity and they are used as model compounds for evaluation of the activation mechanism of the H3 receptor.

(1R*,2R*)-1,2-(2,3-Di­meth­oxy­butane-2,3-di­oxy)cyclo­hexane

The title compound was synthesized as a model compound for substituted diequatorial fixed vicinal trans-cyclo­hexane­diols.

Bis(N,N-di­ethyl-1,1-di­seleno­carbam­ato-Se)­selenium, [(Se₂CNEt₂)₂Se]

The poly­seleno title compound, bis(N,N-diethyl­seleno­carbamoyl) tri­selenide, was obtained from the disproportion of sodium N,N-diethyl-1,1-di­seleno­carbamate. An Se atom connects two N,N-diethyl-1,1-di­seleno­carbamate groups with Se—Se distances in the range 2.4500 (11)–2.8601 (12) Å.

N-Benzyl-N-(4-meth­oxy­phenyl)­cyclo­hex-1-ene­carbo­thio­amide

The title thio­amide undergoes photocyclization in the solid state. The central C=C—N—C(=S)—C=C moiety adopts a shape like a portion of a helix. Intramolecular rotation of the N—Ph ring does not seem to be disturbed by the 4-methoxy group.

(1R,2R,3S,4S)-2-[(2R,3S)-2,3-Di­methyl­oxiran-2-yl]-3,4-bis­(4-meth­oxy­benzyl­oxy)­cyclo­hexanol

The relative configuration was determined for the title compound, which was prepared in a synthetic study on immunosuppressant FR65814. There is an intramolecular hydrogen bond between the hydroxy and epoxy groups.

(2S,3R,4S,5R,6S)-6-Benzyl­oxy­methyl-4-(meth­oxy­methyl­oxy)-9-oxo-8-oxa-1-aza­bicyclo­[4.3.0]­nonane-2,3,5-triyl tri­acetate

The relative configuration was determined for the title compound, which was prepared in a synthetic study on the natural product sphingofungin E. The six-membered ring adopts a chair form and the five substituents are all in axial positions.

tert-Butyl 2-[2-(eth­oxy­carbo­thio­ylamino)-3-pyridyl­oxy]acetate and tert-butyl 2-(3-thioxopyrido­[2,1-c][1,2,4]thia­diazol-8-yl­oxy)­acetate

The title compounds, (I>) and (II>), respectively, are two minor products of the reaction of tert-butyl 2-(2-amino-3-pyridyl­oxy)­acetate with thio­phosgene in chloro­form. Compound (II>) contains the novel 1,2,4-thia­diazo­lo­[4,3-a]­pyridine-3-thione fused-ring system.

2-Acetyl-4H-benzo­thia­zin-3(2H)-one

The title compound has a boat-shaped heterocyclic six-membered ring such that the S and N atoms lie essentially in the plane of the benzene ring while the remaining two C atoms are above this plane.