Mercury(II) tungstate from neutron powder data

The structure of HgWO₄ consists of zigzag chains of edge-sharing WO₆ and HgO₆ octahedra running parallel to the c axis. Hg characteristically forms two short collinear Hg—O bonds.

Fe₂P₂O₇(H₂O)₂

The title compound contains iron(II) octahedrally coordinated by diphosphates and water mol­ecules. The octahedra are connected in such a way that they form channels throughout the structure which contain the coordinated water mol­ecules.

Two forms of aluminium phosphate tridymite from X-ray powder data

Rietveld refinements of monoclinic and triclinic AlPO₄ tridymites show that their tetrahedral framework structures are isotypic with the silica analogues. The two forms of tridymite differ in distortions of the six-membered rings of tetrahedra, resulting in different superstructures. Both modifications co-exist at room temperature.

Strontium chromium(II) diphosphate, SrCrP₂O₇

SrCrP₂O₇ belongs to the structure family of α-Ca₂P₂O₇. It consists of a three-dimensional network of [SrO₉], [CrO₅] and [P₂O₇] groups. Lattice constants of the whole series of isotypic compounds SrMP₂O₇ (M²⁺ = Cr, Zn or Cd) are compared with respect to the electronic configuration of M²⁺.

The sodium salt of a tris­(tridentate anion)­gadolinium(III) complex: penta­sodium bis­[chelidamato(3−)][chelidamato(2−)]­gadolinate(III) hexa­deca­hydrate

Reinvestigation of bis­(tri­methylsilyl)mercury

A novel trinuclear palladium cluster compound: di-μ₃-chloro-tris­[chloro(tri­phenyl­phosphine-P)­palladium] acetone solvate

Carbonyl­[di­hydro­bis­(pyrazol-1-yl-κN²)­borato]­hydrido­bis­(tri-p-tolyl­phosphine-κP)­ruthenium(II)

Poly[[bis­(di­methyl sulfoxide-κO)tris­(thio­cyanato-κN)­manganese(II)]-μ-thio­cyanato-κ²N:S-mercury(II)]

Aqua(n-hexyl)[3,3′-(propane-1,3-diyldi­nitrilo)­bis­(butan-2-one) dioximato-κ⁴N]cobalt(III) perchlorate

[N,N′-Bis(5-bromo­salicyl­idene)-o-phenylene­diaminato]copper(II)

One-dimensional polymeric chain structure of bis­(aniline)­dithio­cyanato­cadmium(II)

Salts of two pentahalo(N-donor)­bis­muthate(III) anions: [BiX₅L]²⁻ (X = Cl, Br; L = pyridine, 4-picoline)

Acetatodi­aqua[3-(salicyloylhydra­zono)butan-2-one oximato]nickel(II) ethanol solvate

Sodium mycophenolate

[Sm(NO₃)₃(TPTZ)(H₂O)]·2H₂O [TPTZ is 2,4,6-tris­(2-pyridyl)-1,3,5-triazine]

A host–guest complex of di­aqua­bis­[1-hy­droxy-2(1H)-pyridine­thionato-O,S]­magnesium(II) and 2,2′-di­thio­bis­(pyridine N-oxide)

Mixed-chalcogenide double-butterfly complex [{(CO)₆Fe₂SSe}₂{μ-C(H)—C(H)}]

Three sulfur-containing diborane(4) compounds

Nouveaux dérivés de N-phtalimido-2-aryle­propanoate de pantolactonyle

Chelidamic acid monohydrate: the proton complex of a multidentate ligand

cis-Verbenol

Neutral bis­(ethyl­enedi­thio)­tetra­thia­fulvalene at 100 K

The antiestrogen [2-(4-benzyl­phen­oxy)­ethyl]­diethyl­ammonium chloride

Flavone-3′-sulfon­amide

Methyl 1-(4-chloro­benzyl)-2-(4-methyl­piperazin-1-yl)-1H-benz­imidazole-5-carboxyl­ate hemihydrate

The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenyl­sulfonyl-2H,4H-pyrrolo­[3,4-b]­indole

4-Fluoro-2-(phospho­nomethyl)­benzene­sulfonic acid monohydrate

2,4,6-Tris­(methyl­thio)-1,3,5-triazine, 3-methyl-4,6-bis­(methyl­thio)-1,3,5-triazine-2(3H)-thione, 1,3-di­methyl-4-methyl­thio-1,3,5-triazine-2,6(1H,3H)-di­thione and 1,3,5-tri­methyl-1,3,5-triazine-2,4,6(1H,3H,5H)-tri­thione

N-Carb­oxy-L-phenyl­alanine anhydride

β-Pyridinium di­chloro­iodide

Two 5-oxa-2,6-di­aza­spiro[3.4]octan-1-one derivatives from the [3+2] cyclo­addition of methylenelactams with nitrones

4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetra­hydro-3H-cyclo­penta[c]quinoline

1:1 Hetero-assembly of 2-amino­pyrimidine and (+)-camphoric acid

(8-Di­methylamino-1-naphthyl)di­methylammonium 3-carb­oxy-1,4,5,-6,7,7-hexa­chlorobi­cyclo[2.2.1]hept-5-ene-2-carboxylate hydrate

(3R,4S)-3-Phenyl-1-[(R)-1-phenyl­ethyl]-4-[(R)-1-phenylethylimino­methyl]azetidin-2-one

(E)-6-Meth­oxy-3-(α-methoxybenzyl­idene)benzo[b]furan-2(3H)-one at 173 K

1,2-Ph₂-9-I-1,2-closo-C₂B₁₀H₉

7-Iodo-8-aza-7-de­aza-2′-de­oxy­adenosine and 7-bromo-8-aza-7-de­aza-2′-deoxyadenosine

N,N′-Bis(2-tosylamino­benzyl­idene)benzene-1,2-di­amine

Ethyl 3-(2′-deoxyuridin-5-yl)-3-hy­droxy-2-iodo­propanoate, a nucleoside analogue

Ammonium N-acetyl-L-threoninate and methyl­ammonium N-acetyl-L-threoninate

A new ‘hydrogen-bond rule' applied to the structure of L-seryl-L-alanine and pairs of dipeptide retroanalogues

1-(3-Meth­oxy­benzoyl)-3,3-di­ethyl­thiourea

Triterpenoide. XIX. 3β-Hy­droxy-11-oxo-18α-olean-12-en-28-säure-methyl­ester und 3,11-Dioxo-18α-olean-12-en-28-säure-methyl­ester

1-{5-[2-(Tri­fluoro­methyl)­phenyl]-1,3,4-thia­diazol-2-yl}guanidinium chloride

Absolute configuration of exo-syn-syn-di­car­bonyl­(η⁵-cyclo­penta­dienyl)[(1,2,3-η)-(1R,2S,3S)-1-phenyl­but-2-en-1-yl]­molyb­denum(II). Erratum

K₉CeP₄S₁₆, a new thio­phosphate of cerium with discrete [Ce(PS₄)₄]⁹⁻ anions

Nona­potassium cerium tetra­phospho­rus hexadeca­sulfide is a zero-dimensional material isostructural with the rubidium analogue.

trans-(Methanol)(methyl­diphenyl­phosphine)­bis­(pentane-2,4-dionato)­cobalt(III) hexa­fluoro­phosphate hydrate

Recrystallization of trans-[Co(acac)₂(PMePh₂)(H₂O)]PF₆ (acac is pentane-2,4-dionato) from aqueous methanol gave purple prisms of the title compound. The molecular structure of the complex cation having a coordinated methanol ligand was revealed with a Co—O(methanol) distance of 2.059 (3) Å.

Di-μ-acetato-O:O′-di-μ-acetato-O,O′:O′-bis­{[(cyclo­penta­dienyl)tris­(di­methyl­phosphito-P)­cobalt-O,O′,O′′]neodymium(III)}

The title Nd compound is isomorphous with the corresponding Y compound, but with a larger unit cell.

[N,N′-Bis­(salicyl­idene)-1,2-di­phenyl-(RS,SR)-1,2-ethane­diamin­ato]­nickel(II)

The coordination geometry around the Ni atom is square planar with a slight tetrahedral distortion. The five-membered chelate ring has a distorted gauche conformation with the phenyl groups in axial and equatorial orientations.

cis-Di­aqua­bis­(trans-cinnamato-O,O′)zinc(II)

The title complex shows a distorted octahedral coordination and has a crystallographic twofold rotation axis. Intermolecular O—H⋯O hydrogen bonds form a two-dimensional network in the ab plane.

Bis­(tetra­ethyl­ammonium) tetra­iodo­zincate at 150 and 301 K

The title compound, (Et₄N)[ZnI₄], is isostructural with the previously reported tetra­bromo­cadmate, whose coordinates were used as the starting parameters for both of the refinements presented here. The asymmetric unit comprises one anion and three cations, all of which are in special positions. The anion has five nearest-neighbour cations in the form of a square pyramid.

Monoclinic and triclinic forms of bis­[2-hy­droxy-2,2-bis­(2-pyridyl)­ethano­ato-O¹,N,N′]­nickel(II)

Both the monoclinic and triclinic forms of the neutral title complex show an octahedral nickel(II) centre coordinated by two facial tridentate pyridylate ligands. The O-donor atoms of each ligand are trans.

(μ-C-meso-5,5,7,12,12,14-Hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-N-acetato-1κ⁵N,N′,N′′,N′′′,O:2κO′)­tetra­chloro-1κCl,2κ³Cl-cobalt(III)­zinc(II)

The Co^III ion is six-coordinate in a nearly octahedral environment (one Cl, one O and four N atoms) and the Zn^II ion is four-coordinate in a distorted tetrahedral environment (three Cl and one O atom).

Tris(8-quinolinolato-N,O)­cobalt(III) ethanol solvate

The central Co atom of the title complex has a distorted octahedral coordination. The three Co—O bond distances are in the range 1.887 (2)–1.910 (2) Å, while the three Co—N bond distances are in the range 1.919 (2)–1.934 (2) Å. The ethanol solvate mol­ecule is involved in an O—H⋯O intermolecular hydrogen bond.

cis-Di­chloro­(di­methyl­amino­methyl­ene)­(tri­phenyl­phosphine)palladium(II) acetone solvate

The crystal structure of the title compound contains discrete monomeric mol­ecules of the carbene complex and solvent mol­ecules separated by normal van der Waals distances. The Pd atom is four-coordinate in an essentially square-planar environment, with the chlorine ligands mutually cis; Pd—P = 2.2495 (7), Pd—Cl = 2.3508 (7) and 2.3600 (7), Pd—C = 1.948 (2) and N—C(carbene) = 1.274 (3) Å.

Bis­(iso­propyl­amino)­methyl­carbenium tetra­kis­(penta­fluoro­phenyl)­gallate

The title compound crystallizes as discrete ions, which form interionic hydrogen bonds of the type N—H⋯F.

A chiral furocoumarin

In the title, compound, both chiral centers have the an S configuration. Both OH groups and both H atoms of the water mol­ecule form intermolecular hydrogen bonds with O⋯O distances in the range 2.7686 (18)–2.8717 (18) Å.

(2R,3R,4R,5S)-3,4,5-Tri­hydroxy-2-(2-hy­droxy­ethyl)­piperidinium chloride

The absolute configuration at the new stereogenic centre, formed during the key step of the total synthesis, was established by X-ray analysis of the title compound.

Tri­ethyl­ammonium hydrogen fumarate

In crystals of the title compound, the hydrogen fumarate anions form one-dimensional chains through O—H⋯O hydrogen bonding along the c and (a+b)/2 directions. There are three sites of the hydrogen fumarate, two of which have an inversion centre.

(−)-(3S)-4-(2-{[4,4-Di­meth­oxy-6-(benzyl­oxy­methyl)­per­hydro­pyran-2-yl]­methyl}-1,3-di­thian-2-yl)-4-methyl-3-(1,1,2,2-tetra­methyl-1-sila­prop­oxy)­pentan-1-ol

The absolute configuration was determined for the title compound, which was prepared in a synthetic study on the natural products bryostatins. There are two independent mol­ecules which show similar conformations, except for the orientation of the methoxy groups.

(+)-3-{(4S,5S)-5-[1,1-Di­methyl-2-(phenyl­thio)­ethyl]-2,2-di­methyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol

The absolute configuration was determined for the optically active title compound, which was prepared in a synthetic study on the natural products bryostatins.

Charge-transfer complexes of N-methyl-, N-iso­propyl-, N-butyl- and N-iso­butyl­carbazole with 3,5-di­nitro­benzoic acid

In the four title compounds, (I)–(IV>), respectively, the donor and acceptor mol­ecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the alkyl substituents and thenitro groups.

Charge-transfer complexes of N-methyl-and N-ethyl­carbazole with 3,5-di­nitro­benzo­nitrile

In the two title compounds, (I>) and (II>), respectively, the donor and acceptor mol­ecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the substituents on the donor andacceptor.

Charge-transfer complexes of 4-(di­methyl­amino)­pyridine with 2,4-, 3,4- and 3,5-di­nitro­benzoic acid

The three title structures, (I)–(III>), respectively, consist of 4-(di­methyl­amino)­pyridinium and di­nitro­benzoate ions connected by an N—H⋯O hydrogen bond. Donor–acceptor π–π stacking is observed in (II>) and (III>), but notin (I>).

N-Benzyl-N-(2-meth­oxy­phenyl)­cyclo­hex-1-ene­carbox­amide

The title amide does not photocyclize in the solid state. The methoxy group is involved in intermolecular steric interactions and so prevents rotation of the N-phenyl group in the crystal.

N-Iso­propyl-N-[(E)-2-phenyl­propenyl]­thio­benz­amide and N-iso­propyl-3-meth­oxy-N-[(E)-2-phenyl­propenyl]­thio­benz­amide

The crystal structures of the two title thio­benz­amides, i.e. (I>) and (II>), were determined to investigate the relationship between the photoreactivity in solid state and the structure. Their geometry was confirmed to be the E isomer in each case.

N-Methyl-N-[(Z)-2-phenyl­propenyl]­thio­benz­amide

The crystal structure of the title thio­benz­amide was determined to investigate the relationship between the photoreactivity in solid state and the structure. The geometry was confirmed to be the Z isomer.

2-Iso­propyl-4-methyl-4-phenyl-1,2,3,4-tetra­hydro­iso­quinoline-1-thione

The title compound is the photoproduct obtained from N-iso­propyl-N-[(E)-2-phenyl­propenyl]­thio­benz­amide. Recrystallization showed a spontaneous resolution.

A double mesogen based on linked p-ter­phenyl units

The title compound is a double mesogen in which two rigid p-ter­phenyl-based units are connected laterally by a carbonate linker. Layers of mol­ecules pack along the a axis, stimulating a smectic A-type arrangement, and on melting, a smectic A phase appears at 388 K and becomes isotropic at 389 K.

Intermolecular hydrogen bonding of the two independent mol­ecules of N-3,5-di­nitro­benzoyl-L-leucine

N-3,5-Di­nitro­benzoyl-L-leucine crystallizes as two independent mol­ecules which differ in their conformation. Intermolecular hydrogen bonding involving (amide)N—H⋯O=C(acid) and (acid)O—H⋯O=C(amide) interactions results in a two-dimensional network consisting of hydrogen-bonded rings with graph-set R⁴₄(20).

A second polymorphic form of N,N′-di­phenyl-1,4-phenyl­ene­diamine

A new polymorphic form of N,N′-di­phenyl-1,4-phenyl­ene­di­amine has been characterized. There are two independent centrosymmetric mol­ecules, both of which are more non-planar than the orthorhombic form.

2,2′-Spiro­bi(1,3-benzodi­thiole)

A high degree of bending of the two five-membered rings in the title compound produces close contacts between two C atoms in each of the benzo groups and one S atom in the other di­thiole ring.

4-Phenyl­butan-2-one semi­carbazone

The title compound crystallizes with two mol­ecules in the asymmetricunit, which are held together by an extended network of hydrogen bonds.Only five of the six theoretically possible hydrogen bonds areformed.

1,2,4-Triazolo­[2,3-h]-7,9-thi­aza-11-crown-4

The 11-membered ring of the title compound, which may be used for complexing metal atoms, adopts a chair conformation of approximate mirror symmetry.

4-Acetonyl­idene-1-ethyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

The diazepine ring of the title compound adopts a boat conformation. An intramolecular hydrogen bond is formed between the NH group of the diazepine ring and a carbonyl O atom of one of the side chains.

1,3,5-Tris­(chloro­methyl)­benzene

The title compound is being used as a platform for new tripodal receptors.Two mol­ecules make up the asymmetric unit and weak intermolecularhydrogen bonding is observed between a methyl­ene H atom and theCl atom of an adjacent mol­ecule; there are also C—H⋯π interactions.

4-Hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3,4-di­hydro­quinazolin-3-yl)-1,2-di­hydro­quinoline-3-carbox­amide

The two bicyclic fragments of the mol­ecule are planar and are turned with respect to each other by 77.8 (2)°. The formation of intramolecular O—H⋯O and N—H⋯O hydrogen bonds causes considerable changes in the bond lengths within the amido­pyridine fragment.