Silver perrhenate, AgReO₄

Silver perrhenate is isostructural with scheelite, CaWO₄. The Ag⁺ cation occupies the Ca²⁺ position and ReO₄⁻ lies in the WO₄²⁻ position.

The double layered hydroxide 3CaO^.Al₂O₃^.CaBr₂^.10H₂O

The structure of the title compound, also formulated as Ca₂Al(OH)₆Br^.2H₂O, dicalcium aluminium hydroxide bromide dihydrate, is isostructural with the iodide analogue [Rapin, Walcarius, Lefevre & François (1999). Acta Cryst. C55. In the press].

Tetragonal Ni_4.35As₃O_11.7(OH)_0.3

The title new tetragonal nickel arsenate is best formulated as Ni_0.5-xNi₄As₃O_12-2x(OH)_2x (x = 0.15) and corresponds to a hydrated form of Ni_4.5As₃O₁₂. A unique feature of the structure is a partially filled dodecahedral Ni site with 4 symmetry and long Ni—O bonds [2.300(2) (× 4) and 2.667(2)Å (× 4)].

Space-group revision for bis­(N-ethyl-N-iso­propyldi­thiocarbamato)lead(II)

The space group of bis(N-ethyl-N-isopropyldithiocarbamato)lead(II), which has been reported as Cc [Trindade et al. (1997). J. Mater. Chem. 7, 1011–1016], is corrected to C2/c. In this setting, the Pb atom lies on a twofold axis which relates one dithiocarbamate group to the other.

Redetermination of di-μ-bromo-bis­[(N,N,N',N'-tetra­methylethylenedi­amine-N,N')lithium]

A redetermination of the μ-bromo-(tetramethylethylenediamine-N,N^')lithium dimer in a unit cell which has one third the volume of the original determination and which shows no superlattice structuring gives a well ordered solution.

Di­iodo[methylenebis(di­phenylphosphine)-P,P']platinum(II), [PtI₂(dppm)]

The Pt atom is four-coordinated by two phosphine P atoms and two I atoms and has a distorted square-planar geometry. The Pt—I distances are 2.6570(3) and 2.6591(3)Å, while the Pt—P distances are 2.2262(12) and 2.2347(11)Å.

1-[Ferrocenyl(hy­droxy)methyl]-1,2-dicarba-closo-dodecaborane

The crystal structure for the title compound was determined at 213 K. The molecule consists of a ferrocene tethered to a carborane through a methylhydroxy bridge which is disordered between two sites.

2-Amino-4,6-di­methyl-1,3,5-triazine

In the structure of the title compound, the triazine ring is planar, and the terminal amino group and one ring N atom form hydrogen bonds with an N—H⋯N distance of 2.251 Å, to give dimers.

1-Propargyl-5-p-tolyl-1H-tetrazole and 2-propargyl-5-p-tolyl-1H-tetrazole

The structures of the title compounds show that these isomers present some specific differences in (i) the orientation of the propargyl group with respect to the tetrazole ring, and (ii) the bond distances and angles of the tetrazole rings.

Bis(indol-3-yl)(4-methylphenyl)methane

The structure consists of two indole systems and a methylphenyl ring. The phenyl and two indole rings adopt planar conformations. The packing of the molecules in the unit cell is influenced by the presence of N—H⋯π and C—H⋯π(Cg) interactions (Cg represents the centroids of the five- and six-membered rings).

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene monohydrate

The title compound was prepared by the reaction of N,N^'-diformylhydrazine and p-phenylenediamine. The X-ray analysis revealed that there is a hydrogen-bond chain composed of water molecules and 1,4-bis(4H-1,2,4-triazol-4-yl)benzene molecules in the crystal. The dihedral angle between the 1,2,4-triazole and substituted-benzene rings is 34.2(2)°.

Redetermination of N-acetylanthranilic acid at 158K

A low-temperature structure redetermination of the strong triboluminescent compound N-acetylanthranylic acid is described. The molecule is not planar and forms chains in the crystal which are connected by hydrogen bonds of average strength.

(3S,4R)-4-Benzoyl-3-(2-methyl-2-propenyl)tetra­hydro­furan-2-one

In the title compound, the substituents of the disubstituted γ-lactone are in a trans (synclinal) relationship and the heterocyclic ring adopts an envelope conformation. The conformation of the allylic and aroyl groups is elucidated.

dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis­(2,6-di­methylphenylthio)pentan-3-one at 173K

Crystals of dl-2,4-bis(phenylthio)pentan-3-one, C₁₇H₁₈OS₂, are orthorhombic (Iba2). Despite cell parameters that appear orthorhombic, crystals of dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one, C₂₁H₂₆OS₂, are monoclinic (P2₁/n) and refine as two twinned components (57/43%) that mimic an orthorhombic lattice.

Substituted clonidine derivatives. II. Ethyl 3,5-di­chloro-4-(1-isobutyrylimidazolidin-2-yl­idene­amino)benzoate and ethyl 3,5-di­chloro-4-(1,3-diisobutyrylimidazolidin-2-yl­idene­amino)benzoate

In the title compounds, C₁₆H₁₉Cl₂N₃O₃ (R₁ = H, R₂ = COCHMe₂), (I), and C₂₀H₂₅Cl₂N₃O₄ (R₁ = R₂ = COOCHMe₂), (II), the imidazolidine rings adopt half-chair conformations. Compound (I) exists in the imidazolidine form. The dihedral angles between the phenyl and imidazolidine rings are 80.95(6)° for (I), and 66.7(2) and 67.5(2)° for (II). In (I), the glide-related molecules are involved in N—H⋯N intermolecular hydrogen bonds.

Substituted clonidine derivatives. III. 3,5-Di­chloro-4-(imidazolidin-2-yl­idene­amino)benzyl alcohol and 3,5-di­chloro-4-(1,3-diisobutyrylimidazolidin-2-yl­idene­amino)benzyl isobutyrate

In C₁₀H₁₁Cl₂N₃O (R₁ = H, R₂ = CH₂OH), (I), and C₂₂H₂₉Cl₂- N₃O₄ (R₁ = COCHMe₂, R₂ = CH₂OCOCHMe₂), (II), the bonds connecting the phenyl and imidazolidine rings are shorter than that observed in clonidine, indicating increased double-bond character. The imidazolidine rings adopt a half-chair conformation in both structures and the dihedral angles between the imidazolidine and phenyl rings are 86.97(7) and 66.32(6)° in (I), and 62.4(1)° in (II).

(3S,3aR,6S,7aR)-3-{2-[(3R,3aS,6R,7aS)-6-Hy­droxy-6-methyl-5-methyleneperhydrobenzo[b]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[b]furan-6-ol

The dimeric title compound was isolated from a samarium-io- dide-mediated radical-cascade sequence of methylenecyclo- propyl ketone. The molecule lies about an inversion centre and the X-ray analysis established the stereochemistry.

(R_S)-(1R,2S,3R)-2-Meth­oxy-1,7,7-tri­methyl-N-(4-nitro­benzyl­idene)bi­cyclo[2.2.1]heptane-3-sulfinamide

The title compound was synthesized from (+)-camphor. The absolute configuration was determined using the known configuration of (+)-camphor.

Kemp's acid at 120K

The structure of Kemp's acid, cis,cis-1,3,5-cyclohexane-1,3,5-tricarboxylic acid, studied previously by Rebek et al. [J. Am. Chem. Soc. (1985), 107, 7476–7481] and by Chan et al. [J. Crystallogr. Spectrosc. Res. (1991), 21, 297–308] at room temperature, has been redetermined at 120K.

5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol

The title compound exists as the trans isomer. The dihedral nobreak angle between the phenyl and quinoline rings is 1.9(1)° and the N=N bond distance is 1.249(3)Å. In the solid, intermolecular O—H⋯N hydrogen bonds [2.826 (3) Å and 138°] link the molecules about inversion centres to form dimers.

Cs₃NbSe₄

Cs₃NbSe₄ crystallises as a K₃VS₄ type and is isotypic with previously reported K and Rb analogues. The crystal structure is based on discrete tetrahedral [NbSe₄]³⁻ anions, which are connected via Cs⁺ cations.

Lithium barium arsenide, Li₄Ba₃As₄, containing isolated As^3- and As₂^4- anions

Li₄Ba₃As₄ (Immm) is isostructural with Li₄Sr₃Sb₄ and Li₄Ba₃Sb₄. It contains two anionic moieties, namely As₂⁴⁻ dumbbells and As³⁻, and consists of planes of BaAs₆ octahedra separated by corrugated sheets of Li and Ba atoms.

Thallium titanium phosphate, Tl₃Ti₃O(PO₄)₃(P₂O₇)

The title compound, trithallium trititanium oxide tris(phosphate) diphosphate, is built up from a three-dimensional polyhedral network of TiO₆, PO₄ and P₂O₇ units. It is isostructural with M₃Ti₃O(PO₄)₃(P₂O₇) (M = K, Rb).

Zinc mercury thio­cyanate (ZMTC)

Zinc mercury tetrathiocyanate consists of slightly flattened ZnN₄ and HgS₄ tetrahedra linked by –S=C=N– bridges to form infinite three–dimensional –Hg—S=C=N—Zn– networks.

Pentaammine­nitrocobalt(III) hexa­fluorosilicate(IV) at 293 and 150K

The crystal structure of [Co(NO₂)(NH₃)₅](SiF₆) has been determined at 293 and 150K. The complex cations in the structure are linked by N—H⋯F hydrogen bonds to the (SiF₆)²⁻ anions and by N—H⋯O hydrogen bonds to other cations. The role of these hydrogen bonds and of the repulsive O⋯F interactions in the anisotropy of the structural distortion on cooling is discussed.

Dirubidium catena-poly[di­chloroargentate(I)-μ-chloro]

The crystal structure of the title compound consists of polymeric chains of corner-sharing AgCl₄ tetrahedra, with Rb⁺ ions situated between the chains.

Dy₃CuGeSe₇

The non-centrosymmetric structure of tridysprosium copper germanium heptaselenide (La₃CuSiS₇ structure type) comprises CuSe₃ triangles, GeSe₄ tetrahedra, and DySe₈ bicapped trigonal prisms.

Aqua[9-(1,8-di­azafluoren-9-yl­idene)amino-1,8-di­azafluorenato]hydroxo(urea)zinc(II) urea solvate

Tetra­chlorobis(hexa­methylphosphoramide-O)digallium(II)(Ga–-Ga)

trans-Chlorodi­fluorotris(pyridine-N)osmium(III)

{4,4'-Di­methyl-6,6'-bis­(morpholino­methyl)-2,2'-[1,3-propanediylbis(nitrilo­methyl­idene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate

Di­chloro(ethylenedi­amine­tetra­acetic acid)palladium(II) hexahydrate

{4,4'-Di­methyl-6'-morpholinio­methyl-6-mor-pholino­methyl-2,2'[1,2-ethanediylbis(imino­methylene)]diphenolato}copper(II) perchlorate dihydrate

An exo-polyhedral bicyclic 11-vertex closo-ruthenaborane: [(PPh₃)(CH₃COS)₂RuB₁₀H₈]

A three-ring exo-polyhedral-cyclized nickelaundecaborane cluster: [(CH₃COS)₃NiB₁₀H₇(PPh₃)]

Bis(1-methylimidazole-N³)bis­(salicylato-O,O')copper(II)

catena-Poly[[bis­(benzimidazole-N³)copper(II)]-μ-suberato-O,O':O'',O'''] and catena-poly[[[bis­(benzimidazole-N³)copper(II)]-μ-sebacato-O,O':O'',O'''] dihydrate]

Hydroxotri­phenyltin 2,6-bis­(1H-benzimidazol-2-yl)pyridine hydrate

Di-μ-chloro-bis­{[tris­(2-pyridylmethyl)amine-κ⁴N]nickel(II)} bis­(tri­ethylammonium) tetraperchlorate

A three-dimensional host framework with small tetragonal and large hexagonal channels

Aqua(1,10-phenanthroline)(L-prolinato)copper(II) nitrate monohydrate

[Cu₂{1,4-bis­[(3-methyl-2-pyridyl)amino]phthalazine –H}(N₃)₃] at 40K

Polymeric (cyclo­propane-1,1-di­carboxylato)copper(II)

Tetra­aqua(1,10-phenanthroline-N,N)nickel(II) dinitrate monohydrate

A selenium-bridged mixed-metal cluster, (CO)₅(PPh₃)₂FePt₂(μ₃-Se)

Bis[bis­(tri­phenylphosphoranyl­idene)ammonium] μ-tetra­thiaoxalato-bis­[(2-thioxo-1,3-di­thiole-4,5-di­thiolato)nickelate(II)]

(L-2-Ammonio-4-methylsulfinylbutanoic acid-κS)tri­chloroplatinum(II)–18-crown-6–water (1/1/2)

Intramolecular C—H⋯O and intermolecular N—H⋯O and C—H⋯O interactions in N-ferrocenoylglycine benzyl ester, an effective di­hydrogen phosphate anion sensing agent

Sodium (nitrilotri­acetato)magnesate pentahydrate

Di­chlorobis(1-methyl-1H-benzimidazole-N³)cobalt(II)

Two novel zinc(II) complexes of N'-[1-(2-pyridyl)ethyl­idene]morpholine-4-carbo­thiohydrazide

Tetra­kis­(methylamine-N)(oxalato-O¹,O²)cobalt(III) perchlorate and tetra­kis­(ethylamine-N)(oxalato-O¹,O²)cobalt(III) perchlorate monohydrate

Bis(1,3-di­butylimidazolidin-2-one-O)bis­(nitrato-O,O')dioxouranium(VI)

Three Pt^II catecholate and 1,2-di­thiocatecholate complexes

Tetra­chloro­tetra­kis­(propan-2-ol)uranium(IV) and tetra­chloro­tetra­kis­(propan-2-ol)thorium(IV)

Poly[[[aqua(2,2'-bi­pyridine-N,N')cadmium(II)]-μ₃-sulfito-O:O:O'] hydrate]

Aqua[4-(4-chloro­phenyl)-2-phenylthiazole-5-acetato-O]tri­methyltin(IV)

A trinuclear Pd₂Ni complex, [(C₆H₅)₄ P]₂[(PdCl₃)₂{Ni(C₁₂H₁₈N₂O₂)}]

(meso-Tetra­ethylporphyrinato)bis­(tetra­hydro­furan)iron(III) perchlorate

N,N'-Di­phenylguanidinium hydrogen (+)-L-tartrate monohydrate

Bis(N,N'-di­phenylguanidinium) oxalate

4-(N-Methylnitramino)pyridine 1-oxide

(1R,2R,3R,3'R,4R)-3-[(2-Furyl)hydroxymethyl]-1,7,7-tri­methylbi­cyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary

N-Cyclo­hexyl-6α,7β-di­hydroxyvouacapan-17β-carboxamide

The twisted structure of 9-(4-cyano­phenyl)carbazole

Nitro derivatives of glutethimide

4,6-Bis(benzyl­oxy)-1,3,5-triazin-2-ylamine

2-(p-Toluoyl)benzoic acid

4-Iodo­pyridine, a structure with very short nitrogen–iodine contacts

Colletoketol

X-ray investigations of benzo­pyran derivatives substituted at position 3

Di­methyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-b]indol-3-yl)maleate

N—H⋯S hydrogen bonding in N-benzoyl-N'-methyl-N'-phenylthiourea and N-benzoyl-N'-(3,4-di­methylphenyl)thiourea

The first mixed iodide–di­thiocarbamate complex of selenium(II): catena-poly[[(di-n-propyldi­thiocarbamato-S,S')selenium(II)]-μ-iodo]

(S)-8-Chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1H-4,5,6,7-tetra­hydroimidazo[4,5,1-jk][1,4]benzodiazepinium bromide methanol solvate

2-Aminobenzimidazolium nitrate at 152K, a triclinic crystal structure with pronounced local pseudo-symmetry

N-(2-Pyridinium)urea nitrate

A di­thia­diazolylium chloride salt from the reaction of 4-phenyl-1,2,3,5-di­thia­diazolyl with gold(I) chloride

N,N-Bis(2-oxopyrrolidin-1-ylmethyl)glycine

7-De­aza-2'-deoxyisoguanosine adopts the form of an N1–-H,2-keto tautomer

5,7-Di­phenyl[1,2,4]triazolo[1,5-a]pyrimidine at 122K

Di­chloro[(E)-2-chloro-1-(2-hydroxyprop-2-yl)vinyl](4-methoxyphenyl)tellurium(IV)

Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-deca­hydro-1,4-methano­cyclo­penta[b]pyrrolo[1,6a-a][3,1]benzoxazin-11-one

A non-peptide angiotensin II receptor antagonist: 2-butyl-6-methyl-5-(1-oxopyrid-2-yl)-1-{[2'-(1H-tetrazol-5-yl)bi­phenyl-4-yl]methyl}-1H-imidazo[5,4-b]pyridine methanol solvate

(1S,2S,5S,6S)-5,6-Di­hydroxy-6-methylcyclohex-3-en-1,2-diyl di­acetate

3,4,5,6-Tetra­hydro-2H-naphtho[1,2-b]pyran-2-spiro-2'-1',2',3',4'-tetra­hydro­naphthalene-1'-one

(S)-2,2'-Bis(methoxymeth­oxy)[1,1'-bi­naphthyl]-3,3'-dicarbaldehyde

1-D-1,2:5,6-Di-O-iso­propyl­idene-3-O-(di­phenylphosphinoyl)-chiro-inositol, a hydrogen-bonded dimeric structure

1-Acetyl-1,2,3,4-tetra­hydro-4-methyl-2,4-di­phenyl-5H-1,5-benzodiazepine

2,11-Di­thia[3.3.1]para­cyclophane, (I), and 2,11-di­thia[3.3.2]para­cyclophane, (II)

trans-(6-Bromo-2-cyclohexen-1-yl)pyridinium bromide

3-Butyl-5-hy­droxy-4-iodohexa­hydro­pyrrolo[1,2-c][1,3]oxazin-1-one

α-Cyano-N-(2,5-di­bromo­phenyl)-β-hydroxybut-2-enamide

Neotame, an alkylated dipeptide and high intensity sweetener

An N⋯H—O intramolecular strong hydrogen bond in N-(2-amino­phenyl)naphthaldimine

(+/-)-2-Aza-3,9-dioxotri­cyclo[4.4.4.0^1,6]tetra­decane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam

(2S*,4S*,5R*)-4-Methyl-2-[(5S*)-3-methyl-4,5-di­hydroisoxazol-5-yl]-5-phenyl-3-(toluene-4-sulfonyl)oxazolidine

2,3,4,5,6,7-Hexa­hydro-9,10-di­meth­oxy-1,2-benzo­thiazonin-3-one 1,1-dioxide

10,10-Di­methyl-1,2,8-thiadiazecan-9-one 1,1-dioxide