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Crystal structure of 9-(3-bromo-5-chloro-2-hy­droxy­phen­yl)-10-(2-hy­droxy­eth­yl)-3,3,6,6-tetra­methyl-3,4,6,7,9,10-hexa­hydro­acridine-1,8(2H,5H)-dione

The structure of a hydroacridine with significant pharmaceutical potential is reported. The acridinone ring system is in the shape of a shallow V with the majority of the ring system substituents on its convex surface; a plethora of classical and non-classical hydrogen bonds stack the molecules into interconnected columns.

Crystal structure of [NiHg(SCN)₄(CH₃OH)₂]_n

The crystal structure of [NiHg(SCN)₄(CH₃OH)₂]_n is made up of HgS₄ tetra­hedra and trans-NiN₄O₂ octa­hedra, linked together by thio­cyanato bridges. The methanol mol­ecules point to the cavities of the resulting framework.

Crystal structure of a tetra­kis-substituted pyrazine compound: 2,3,5,6-tetra­kis­(bromo­meth­yl)pyrazine

The title molecule crystallizes with two half-molecules in the asymmetric unit, the whole molecules being generated by twofold rotation symmetry. In the crystal, there are two interpenetrating three-dimensional networks involving the individual molecules that are linked by C—H⋯Br and Br⋯Br interactions.

Crystal structures of Na₂SeO₄·1.5H₂O and Na₂SeO₄·10H₂O

The crystal structures of the 1.5- and 10-hydrates of Na₂SeO₄ are isotypic with those of the corresponding chromates.

Crystal structure of a new monoclinic polymorph of N-(4-methyl­phen­yl)-3-nitro­pyridin-2-amine

Molecules in both polymorphs of the title compound display deviations from planarity owing to crystal packing effects.

Crystal structure of bis­[3-meth­oxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate

The title symmetrical steroid oxalate diester is substantially twisted about the central O₂C—CO₂ bond, leading to an overall shallow V-shape for the molecule, which may correlate with its reactivity under flash vacuum pyrolysis. C—H⋯O hydrogen bonds help to establish the packing.

Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline

The central ternary N atoms in the isotypic crystal structures of the substituted anilines show no sign of pyramidalization.

Crystal structures of potassium tri­fluorido­(4-meth­oxy­phen­yl)borate and potassium tri­fluorido(4-fluoro­phen­yl)borate

Despite their different compositions and space groups, the irregular KF₈ coordination polyhedra of the potassium cations in these structures are almost identical. The layer stacking sequences are AAA… in the p-methoxy compound and ABAB… in the p-fluoro compound.

Crystal structures of trans-di­chlorido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN³]iron(II), trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN³]iron(II) and trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN³]iron(II) di­ethyl ether disolvate

The title compounds are iron(II) dihalide complexes of the bulky arylimidazole ligand 1-(2,6-diisopropylphenyl)-1H-imidazole. The FeCl₂ and FeBr₂ complexes are isotypic, while the third compound, also an FeBr₂ complex, crystallizes as a diethyl ether disolvate.

Crystal structure of trans-1,4-bis­[(tri­methyl­sil­yl)­oxy]cyclo­hexa-2,5-diene-1,4-dicarbo­nitrile

The mol­ecular structure of the title compound is centrosymmetric. The cyclo­hexa-2,5-diene moiety is exactly planar and has a bond-length distribution characteristic for one pair of double bonds and two pairs of single bonds.

Crystal structure of a layered coordination polymer based on a 4⁴ net containing Cd²⁺ ions and 1,5-bis­(pyridin-4-yl)pentane linkers

[Cd(C₁₅H₁₈N₂)₂(H₂O)₂](ClO₄)₂·C₁₅H₁₈N₂·C₂H₆O, is a layered coordination polymer containing highly squashed 4⁴ nets. The polymeric sheets alternate with layers of counter ions, free ligands and solvent molecules.

Crystal structure of (1Z)-1-(4-chloro­benzyl­idene)-5-(4-meth­oxy­phen­yl)-3-oxopyrazolidin-1-ium-2-ide

The planar pyrazolidine ring occurs in the betaine form with a Z conformation of the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions result in the formation of ribbons of mol­ecules along [10].

Crystal structure of catena-poly[[aquadi-n-propyl­tin(IV)]-μ-oxalato]

The Sn^IV atom in the title compound shows a slightly distorted penta­gonal–bipyramidal SnC₂O₅ coordination with the C atoms of the aliphatic chain in the axial positions.

Crystal structure of [3-(4,5-di­hydro-1,3-thia­zolin-2-yl-κN)-1,3-thia­zolidine-2-thione-κS²](1,3-thia­zol­idine-2-thione-κS²)copper(I) nitrate

In the mononuclear complex title salt, all of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. In the crystal, layers parallel to (010) are generated by N—H⋯O hydrogen bonds, supported by short S⋯O [3.196 (4) and 3.038 (3) Å] and S⋯S contacts [3.4392 (13) Å].

Crystal structures of ethyl (2S*,2′R*)-1′-methyl-2′′,3-dioxo-2,3-di­hydro­dispiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxyl­ate and ethyl (2S*,2′R*)-5′′-chloro-1′-methyl-2′′,3-dioxo-2,3-di­hydro­dispiro­[1-benzo­thio­phene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxyl­ate

The title compounds, (I) and (II), are di­spiro-indole-pyrrolidine-benzo­thio­phene derivatives, with (II) having a chlorine substituent on the oxo­indole unit. As a result, the conformation of the two mol­ecules differs in the angle of inclination of the indole moiety with respect to the benzo­thio­phene ring system, with a dihedral angle of 71.59 (5) in (I) and 82.27 (7)° in (II).

Crystal structure of Cs₂[Th(NO₃)₆]

The crystal structure of Cs₂[Th(NO₃)₆] can be derived from a dense packing of idealized CsO₁₂ and ThO₁₂ units. The CsO₁₂ units form a distorted hcp arrangement with half of the octa­hedral sites occupied by ThO₁₂ units.

Crystal structure of cis-bis­[4-phenyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amidato-κ²N¹,S]nickel(II) monohydrate tetra­hydro­furan disolvate

Crystal structure of a Ni^II–thio­semicarbazone complex showing an unusual cis arrangement of the N,S-donor ligands and anagostic C—H⋯Ni inter­actions.

Crystal structure of bis­{2-[(E)-(4-meth­oxy­lbenz­yl)imino­meth­yl]phenolato-κ²N,O¹}nickel(II)

The Ni^II atom in the title compound shows a square-planar NiN₂O₂ coordination with the imine N and phenolate O atoms of the two Schiff base ligands. C—H⋯O and C—H⋯π interactions result in the formation of sheets of molecules parallel to the ac plane.

Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[di­aqua­tetra-μ-cyanido-diargentate(I)iron(II)] trans-1,2-bis­(pyridin-2-yl)ethyl­ene disolvate]

{[Fe(H₂O)₂{Ag(CN)₂}₂](2,2′-bpe)₂}_n forms a two-dimensional grid-type structure with the organic guest mol­ecules occupying the space between adjacent grid layers. The grid layers are held together by hydrogen bonds between the organic guest mol­ecules and the host framework and gives rise to a three-dimensional supra­molecular architecture.

Crystal structure of the high-energy-density material guanylurea dipicryl­amide

1-Carbamoylguanidinium bis­(2,4,6-tri­nitro­phen­yl)amide (= guanylurea dipicryl­amide) builds up an array of mutually linked guanylurea cations and dipicryl­amide anions. The crystal packing is dominated by an extensive network of N—H⋯O hydrogen bonds, resulting in a high density of 1.795 Mg m⁻³ which makes the title compound a potential secondary explosive.

Crystal structure of bis­[1-(naphthalen-1-ylmeth­yl)pyridinium] bis­(2,2-di­cyano­ethene-1,1-di­thiol­ato-κ²S,S′)nickelate(II)

In the ion-pair complex, bis­[1-(naphthalen-1-ylmeth­yl)pyridinium] bis­(2,2-di­cyano­ethene-1,1-di­thiol­ate-κ²S,S′)nickelate(II), C—H⋯N and C—H⋯Ni hydrogen bonds as well as π–π inter­actions between the ions result in the formation of a three-dimensional network.

Diterbium hepta­nickel: a crystal structure redetermination

Li₂PtF₆ revisited

Poly[[hexa­aqua­sesqui(μ-benzene-1,2,4,5-tetra­carboxyl­ato)dicopper(II)disodium] monohydrate]

Crystal structure of 1,1-di­acetyl­ferrocene dihydrazone

Poly[μ₆-(naphthalene-2,6-di­carboxyl­ato)-bis­(aqua­lithium)]

Bis{2-meth­oxy-6-[(E)-(4-methyl­benz­yl)imino­meth­yl]phenolato}palladium(II) chloro­form monosolvate

Poly[[tri-μ-aqua-do­deca­aqua­tris­(μ₃-1-hy­droxy­ethyl­idene-1,1-di­phospho­nato)tricalcium(II)tripalladium(II)] penta­hydrate]

(Benzyl­diphenyl­phosphane-1κP)[μ-bis­(di­phenylphosphan­yl)methane-2:3κ²P:P′]nona­carbonyl-1κ³C,2κ³C,3κ³C-triangulo-triruthenium(0)

Bis(2-amino-4-phenyl-1,3-thia­zol-3-ium) tetra­chlorido­palladate(II)

Di­aqua­[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ⁴N]iron(III) tri­fluoro­methane­sulfonate–4-hy­droxy-3-meth­oxy­benzaldehyde–water (1/1/2)

catena-Poly[[[bis­(1H-imidazole-κN³)zinc(II)]-μ₂-imidazol-1-ido-κ²N:N′] nitrate]

Potassium 4-azido­benzene­sulfonate

Di­chlorido{(2E)-2-[phen­yl(pyridin-2-yl)methyl­idene]hydrazinecarbo­thio­amide}cadmium(II) methanol monosolvate

Bis(isoquinolin-2-ium) tetra­chlorido­zincate dihydrate

(3-Methyl­benzo­nitrile-1κN)-cis-tetra­kis(μ-N-phenyl­acetamidato)-1:2κ⁴N:O;1:2κ⁴O:N-dirhodium(II)(Rh—Rh)

7-Chloro-4-oxo-4H-chromene-3-carbaldehyde

(E)-3,4,5-Trimeth­oxy-N′-[(6-meth­oxy-4-oxo-4H-chromen-3-yl)methyl­idene]benzohydrazide monohydrate

1-[3-(Morpholin-4-yl)prop­yl]-3-[(naph­tha­len-2-yl)­oxy]-4-(3-nitro­phen­yl)azeti­din-2-one

3-(2,4-Di­chloro­phen­oxy)-1-(4-meth­oxy­benz­yl)-4-(4-nitro­phen­yl)azetidin-2-one

3,12-Dimeth­oxy-5,6,9,10-tetra­hydro-[5]helicene-7,8-dicarbo­nitrile

3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one

(5R*)-5-[(2S*,5S*)-1-Meth­oxy-5-phenyl­pyrrolidin-2-yl]-3-methyl­furan-2(5H)-one

4-{Phen­yl[4-(6-phenyl-2,2′-bipyridin-4-yl)phen­yl]amino}­benzaldehyde

6-Fluoro­indan-1-one

3β-Hy­droxy-28-norolea-12,17-dien-11-one

Di-tert-butyl 1-[2-hy­droxy-3-(methyl­sulfan­yl)prop­yl]hydrazine-1,2-di­carboxyl­ate

The 1:1 charge-transfer complex dibenzo­tetra­thia­fulvalene–pyromellitic dianhydride (DBTTF–PMDA)

5-Hy­droxy-2-nitro­benzaldehyde thio­semicarbazone (HNBATSC)

2,3-Di­phenyl-1,3-thia­zolidin-4-one

(E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol

2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide

4-Methyl-N-{2-[(E)-3-oxo-3-phenyl­prop-1-en-1-yl]phen­yl}benzene­sulfonamide

Allyl­ammonium hydrogen oxalate hemihydrate

4-Bromo-2-[(phenyl­imino)­meth­yl]phenol

Iso­propyl 1-benzoyl-4-benzo­yloxy-2,6-di­phenyl-1,2,3,6-tetra­hydro­pyridine-3-carboxyl­ate

(2E)-1-(4-Chloro­phen­yl)-3-[4-(propan-2-yl)phen­yl]prop-2-en-1-one

Ethyl 2,6-bis­(4-bromo­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate

2,6-Di­amino-4-chloro­pyrimidinium 4-carb­oxy­butano­ate

Bis(2-nitro­phen­yl)methane

4-Fluoro-N-(4-hy­droxy­benzyl­idene)aniline

(Z)-2,3-Di­chloro-1,4-bis­(4-chloro­phen­yl)but-2-ene-1,4-dione

4-(2-Nitro­benz­yl)-3-phenyl-3,4-di­hydro-2H-1,4-benzoxazin-2-ol

An amide cyclo­phane

(4bS,8aS)-1-Iso­propyl-4b,8,8-tri­methyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-2-yl benzoate

4-Hy­droxy-3-meth­oxy­benzaldehyde 4-ethyl­thio­semicarbazone

Methyl 4-amino-2-chloro­pyrimidine-5-carboxyl­ate

(2E)-2-Benzyl­idene-9-phenyl-3,4-di­hydro­acridin-1(2H)-one

Crystal structure of 4-methyl­sulfanyl-2-phenyl­quinazoline

4-(2-Fluoro­phen­yl)-2-meth­oxy-5,6,7,8,9,10-hexa­hydro­cyclo­octa­[b]pyridine-3-carbo­nitrile

3,10,14,21-Tetra­kis(4-meth­oxy­phen­yl)penta­cyclo­[11.8.0.0^2,11.0^4,9.0^15,20]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloro­form monosolvate

6-Amino-3-methyl-4-(3,4,5-tri­meth­oxy­phen­yl)-2,4-di­hydro­pyrano[2,3-c]pyrazole-5-carbo­nitrile

Bis(methyl­sulfon­yl)methane

Pelanserin: 3-[3-(4-phenyl­piperazin-1-yl)prop­yl]quinazoline-2,4(1H,3H)-dione

Betulin 3,28-di-O-tosyl­ate

4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

(E)-3-Methyl-2,6-di­phenyl­piperidin-4-one O-(3-methyl­benzo­yl)oxime

(E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid

4-Methyl-N-[2-(pyridin-2-yl)ethyl­carbamo­thio­yl]benzamide