Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one

The title compound crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.

Structure cristalline de type alluaudite K_0.4Na_3.6Co(MoO₄)₃

A new triple molybdate K_0.4Na_3.6Co(MoO₄)₃ was synthesized using solid-state reaction at 973 K and characterized by X-ray diffraction. The structure is characterized by M₂O₁₀ (M = Co/Na) dimers, which are linked by MoO₄ tetra­hedra, forming infinite layers. The latter are connected on one hand by insertion of Mo1O₄ tetra­hedra and secondly by sharing corners with Mo2O₄ tetra­hedra.

Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzo­yloxy-2-(2-hy­droxy­ethyl)-6-meth­oxy­meth­oxy-2-methyl­cyclo­hex­yl]-8,10,10-tri­methyl-2-oxo-1,3-dioxa­spiro­[4.5]dec-8-en-7-yl benzoate benzene monosolvate

In the title compound, the ring conformations of the tricycles are in an envelope, a half-chair and a chair. In the crystal, inter­molecular O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π inter­actions link the mol­ecules into a three-dimensional architecture.

Crystal structures of 2-benzyl­amino-4-(4-bromo­phen­yl)-6,7,8,9-tetra­hydro-5H-cyclo­hepta­[b]pyridine-3-carbo­nitrile and 2-benzyl­amino-4-(4-chloro­phen­yl)-6,7,8,9-tetra­hydro-5H-cyclo­hepta[b]pyridine-3-carbo­nitrile

In two cyclo­hepta­[b]pyridine-3-carbo­nitrile derivatives, the cyclo­heptane ring adopts a half-chair conformation. In the crystals of both compounds, pairs of N—H⋯N_nitrile hydrogen bonds link the mol­ecules, forming inversion dimers with (12) ring motifs.

Crystal structure of 5-(4-benzyl­oxyphen­yl)-3-(4-meth­oxy­phen­yl)-6-methyl­cyclo­hex-2-en-1-one

5-(4-Benzyl­oxyphen­yl)-3-(4-meth­oxy­phen­yl)-6-methyl­cyclo­hex-2-en-1-one crystallized with two independent mol­ecules in the asymmetric unit. The cyclo­hexene ring adopts an envelope conformation in both mol­ecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C—H⋯π inter­actions.

Crystal structure of 5,5-bis­(4-methyl­benz­yl)pyrimidine-2,4,6(1H,3H,5H)-trione monohydrate

Reaction of 4-methyl benzyl chloride with barbituric acid gave 5,5-bis­(4-methyl­benz­yl)pyrimidine-2,4,6(1H,3H,5H)-trione, which crystallized with two mol­ecules in its asymmetric unit along with two solvent water mol­ecules. A hydrogen-bonded sheet is formed by a combination of N—H⋯O and O_water—H⋯O hydrogen bonds, which are further inter­connected by C—H⋯π_ar­yl inter­actions, leading to a three-dimensional supra­molecular architecture.

Coordination of bis­(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the mol­ecular and crystal structures

The crystal structures for five Pd^II complexes containing the tridentate ligand bis­[2-(3,5-di­methyl­pyrazol-1-yl)eth­yl]amine (pza) are reported. The co-ligand completing the square-planar coordination of the Pd^II centre influences the conformation of the pza ligand.

Crystal structure of (E)-2-{[(4-anilinophen­yl)imino]­meth­yl}phenol

The title compound crystallized with two independent mol­ecules (A and B) in the asymmetric unit, which differ essentially in the orientation of the terminal amino­phenyl ring with respect to the central benzene ring. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds forming –A-B–A–B– zigzag chains propagating along [010].

Crystal structures of iso­quinoline–3-chloro-2-nitro­benzoic acid (1/1) and isoquinolinium 4-chloro-2-nitro­benzoate

The structures of two isomeric compounds of iso­quinoline with 3-chloro-2-nitro­benzoic acid and 4-chloro-2-nitro­benzoic acid have been determined at 190 K. In each compound, the acid and base mol­ecules are held together by a short hydrogen bond between a carb­oxy O atom and a base N atom. In the hydrogen-bonded unit of the former, the H atom is disordered over two positions, while in the latter, an acid–base inter­action involving H-atom transfer occurs and the H atom is located at the N site.

Crystal structure of (Z)-2-[(E)-2-benzyl­idene­hydrazin-1-yl­idene]-1,2-di­phenyl­ethanone

The title compound has an almost planar 1,2-di­benzyl­idenehydrazine backbone with an approximately orthogonal planar phenyl ethanone substituent on one of the imine C atoms. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming a three-dimensional structure.

Crystal structure of 8-[7,8-bis­(4-chloro­benzo­yl)-7H-cyclo­penta­[a]ace­naphthylen-9-yl]naphthalene-1-carb­oxy­lic acid

The title compound packs with a three-dimensional supra­molecular architecture via O—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds and through C—H⋯π inter­actions.

Crystal structure of dioxidobis(pentane-2,4-dionato-κ²O,O′)[1-phenyl-3-(pyridin-4-yl)propane-κN]uranium(VI)

[UO₂(acac)₂(ppp)] is constructed from one uran­yl(VI) unit, two anionic acetyl­acetonate (acac) ligands and one 1-phenyl-3-(pyridin-4-yl)propane (ppp) ligand. The U atom exhibits a UNO₆ penta­gonal–bipyramidal coordination geometry; two uran­yl(VI) O atoms are located at the axial positions, whereas four O atoms from two chelating bidentate acac ligands and one N atom of a ppp ligand form the equatorial plane.

Crystal structure of cis-bis­(μ-β-alanine-κ²O:O′)bis­[tri­chlorido­rhenium(III)](Re–Re) sesquihydrate

A dirhenium(III) cis-di­carboxyl­ate complex is reported, which is representative of a small class of zwitterionic ammonia­carboxyl­ato complexes involving a quadruple metal–metal bond.

Crystal structure of γ-methyl L-glutamate N-carb­oxy anhydride

Solid-state polymerization behavior of amino acid N-carb­oxy anhydrides is explained by the very preferable mol­ecular arrangement for the reaction in the crystal structure.

Crystal structure of zwitterionic 3-(2-hy­droxy-2-phospho­nato-2-phosphono­eth­yl)imidazo[1,2-a]pyridin-1-ium monohydrate (minodronic acid monohydrate): a redetermination

A redetermination of the crystal structure of minodronic acid monohydrate was carried out in order to provide accurate atomic coordinates and geometry information, whose knowledge is fundamental to elucidate the presumed polymorphism of the compound at room temperature.

Crystal structure of magnesium copper(II) bis­[orthophosphate(V)] monohydrate

The crystal structure of magnesium copper(II) bis­[orthophosphate(V)] monohydrate is formed by three types of cationic sites and by two unique (PO₄)³⁻ anions. One site is occupied by Cu²⁺, the second site by Mg²⁺and the third site by a mixture of the two cations with an Mg²⁺:Cu²⁺ occupancy ratio of 0.657 (3):0.343 (3).

Crystal structure of a new monoclinic polymorph of 2,4-di­hydroxy­benzaldehyde 4-methyl­thio­semi­carbazone

A new monoclinic (P2₁/c) polymorph of the title compound has the same overall conformation as a previously reported (Cc) form with the exception of the conformation of the outer hy­droxy H atom. This difference results in very different crystal packing based on hydrogen bonding, i.e. supra­molecular tubes in the new form as opposed to a three-dimensional architecture in the Cc form.

Crystal structure of N-[(2S,5R)-4-oxo-2,3-di­phenyl-1,3-thia­zinan-5-yl]acetamide 0.375-hydrate

The crystal structure of the title compound displays boat and half-chair configurations of the thia­zine ring.

Crystal structure of an eight-coordinate terbium(III) ion chelated by N,N′-bis­(2-hy­droxy­benz­yl)-N,N′-bis­(pyridin-2-ylmeth­yl)ethyl­enedi­amine (bbpen²⁻) and nitrate

The reaction of terbium(III) nitrate penta­hydrate in aceto­nitrile with N,N′-bis­(2-hy­droxy­benz­yl)-N,N′-bis­(pyridin-2-ylmeth­yl)ethyl­enedi­amine (H₂bbpen), previously deprotonated with tri­ethyl­amine, produced the mononuclear compound [Tb(Cbbpen)(NO₃)]. The mol­ecule lies on a twofold rotation axis and the Tb^III ion is eight-coordinate with a slightly distorted dodeca­hedral coordination geometry.

Structure cristalline de type alluaudite KNa₅Mn₃(MoO₄)₆

In the new molybdenum oxide potassium penta­sodium trimanganese hexa­kis­(molybdate), KNa₅Mn₃Mo₆O₂₄, the structure is composed of M₂O₁₀ (M = Mn, Na) dimers and MoO₄ tetra­hedra sharing corners and forming layers which are linked via common corners of another type of MO₄ tetra­hedra, forming a three-dimensional structure with two types of large channels in which the Na⁺ and K⁺ cations are located.

Crystal structure of fac-tri­chlorido­[tris­(pyridin-2-yl-N)amine]­chromium(III)

The Cr^III ion in the title compound is bonded to three N atoms that are constrained to a facial arrangement by the tris­(pyridin-2-yl)amine ligand and by three chloride ligands, leading to a distorted octa­hedral coordination sphere.

Crystal structure of catena-poly[[[aqua­lithium(I)]-μ-pyrimidine-2-carboxyl­ato-κ⁴N¹,O²:N³,O^2′] hemihydrate]

In this one-dimensional coordination polymer, four symmetry-independent Li(C₅H₃N₂O₂)(H₂O) units form mol­ecular ribbons running along the unit-cell c-axis direction. Within each ribbon, the ligand mol­ecule, acting in a μ₂-mode, bridges two adjacent Li cations using both its N,O-bonding sites.

Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)meth­yl]-4-(prop-1-en-2-yl)cyclo­hexane-1,2-diol

Besides intra­molecular O—H⋯N hydrogen bonds, the crystal structure displays inter­molecular O—H⋯O and C—H⋯O hydrogen bonds linking the mol­ecules into undulating layers parallel to the (01) plane.

Crystal structure of lead(II) tartrate: a redetermination

The redetermination of the crystal structure of lead tartrate from crystals grown in a gel medium confirmed the previous powder X-ray diffraction study in the space group P2₁2₁2₁ with higher precision. Contradictions in the literature regarding space group and water content could be clarified.

Crystal structure of (E)-1-{2-[(5,5-di­methyl-1,3,2-dioxaphosphinan-2-yl)­oxy]naphthalen-1-yl}-N-(4-fluoro­phen­yl)methanimine

In the title compound, the six-membered ring which includes the P atom has a chair conformation and three O atoms are bonded in a trigonal–pyramidal manner to the P atom. In the crystal, mol­ecules are linked via C—H⋯π inter­actions, forming slabs lying parallel to (10).

The crystal structures of four N-(4-halophen­yl)-4-oxo-4H-chromene-3-carboxamides

In four N-(4-halophen­yl)-4-oxo-4H-chromene-3-carboxamides, halo = -F, -Cl, -Br and -I, the mol­ecules are essentially planar and exhibit anti conformations with respect to the C—N rotamer of the amide and with cis geometries with respect to the relative positions of the C3_arom—C2_arom bond of the chromone ring and the carbonyl group of the amide.

Crystal structure of (Z)-4-[1-(4-acetyl­anilino)ethyl­idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

In the solid state, the title compound, adopts the keto–amine tautomeric form, with the H atom attached to the N atom, which participates in an intra­molecular N—H⋯O hydrogen bond with an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds to generate C(16) chains propagating in the [301] direction.

Crystal structure of 4,4′-(ethane-1,2-di­yl)bis­(2,6-di­bromo­aniline)

The 4,4′-(ethane-1,2-di­yl)bis­(2,6-di­bromo­aniline) mol­ecule lies across an inversion center and hence the benzene rings are strictly planar. Mol­ecules are linked by N—H⋯N and weak N—H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). Type II Br⋯Br inter­actions complete a three-dimensional supra­molecular network.

Crystal structure of bis­[trans-(ethane-1,2-di­amine-κ²N,N′)bis­(thio­cyanato-κN)chromium(III)] tetra­chlorido­zincate from synchrotron data

The Cr^III atoms in the title compound show a distorted octa­hedral coordination with four N atoms of two ethane-1,2-di­amine ligands (en) in the equatorial plane and two N-coordinated NCS⁻ groups in axial positions. The [ZnCl₄]²⁻ anion has a slightly distorted tetra­hedral geometry.

Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-di­methyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one

In the title compound, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is planar, but both its N atoms are significantly pyramidalized.

Crystal structure of (S)-4-carbamoyl-4-(1,3-dioxo­isoindolin-2-yl)butanoic acid

The title compound is a one of the first-step hydrolysis products of thalidomide. In the crystal, each mol­ecule is linked via six neighbouring mol­ecules into a three-dimensional network through N—H⋯O and O—H⋯O hydrogen bonds.

Crystal structure of γ-ethyl-L-glutamate N-carb­oxy anhydride

In the crystal of the title compound, mol­ecules are linked by N—H⋯O hydrogen bonds between the imino group and the carbonyl O atom in the ethyl ester group, forming a tape structure along the c-axis direction. The oxazolidine rings of adjacent tapes are arranged into a layer parallel to the ac plane, which is a favourable arrangement for the polymerization of the title compound in the solid state.

A cyclic carbo-isosteric penta-depsipeptide: cyclo(Phe¹–D-Ala²–Gly³–Phe⁴–APO⁵)

Cyclo(Phe¹–D-Ala²–Gly³–Phe⁴–APO⁵) is the minor diastereoisomer of a cyclic penta-peptidomimetic analogue containing a novel 2-amino­propyl lactone (APO) motif, which displays the same number of atoms as the native amino acid glycine and has a methyl group in place of the carbonyl O atom.

Crystal structure of the coordination polymer [Fe^III₂{Pt^II(CN)₄}₃]

Crystal structure of poly[(N,N-di­methyl­acetamide-κO)(μ₄-5-methyl­isophthalato-κ⁵O:O,O′:O′′:O′′′)manganese(II)]

Crystal structure of bis­(2,2′-bi­pyridine-κ²N,N′)bis­(thio­cyanato-κN)mang­anese(II) 2,2′-bi­pyridine monosolvate

Crystal structure of [3-(1H-benzimidazol-2-yl)propano­ato-κN³][3-(1H-benzimid­azol-2-yl)propanoic acid-κN³]copper(I)

Crystal structure of bis­(η⁵-cyclo­penta­dien­yl)(2,3-di­ethyl­butane-1,4-di­yl)hafnium(IV)

Crystal structure of tris­(1,10-phenanthroline-κ²N,N′)iron(II) bis­[bis­(tri­fluoro­methyl­sulfon­yl)imide] monohydrate

Crystal structure of di­chlorido­{4-[(E)-(meth­oxy­imino-κN)meth­yl]-1,3-thia­zol-2-amine-κN³}palladium(II)

Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ²S,S′)nickel(II)

Crystal structure of the one-dimensional metal–organic polymer catena-poly[[tris­(μ-2,4,6-tri­methyl­benzoato-κ²O:O′)dizinc]-μ-2,4,6-tri­methyl­benzoato-κ²O:O′]

Crystal structure of 6,9-di­methyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8(9H)-one 0.40-hydrate

Crystal structure of 2-meth­oxy-2-[(4-methyl­phen­yl)sulfan­yl]-1-phenyl­ethan-1-one

Crystal structure of cyprodinil

Crystal structure of 2-(1,3-dioxoindan-2-yl)iso­quinoline-1,3,4-trione

Crystal structure of 3-(4-chloro­phen­oxy)-4-(2-nitro­phen­yl)azetidin-2-one with an unknown solvate

Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate

Crystal structure of 1-(4-meth­oxy­phen­yl)-4-(4-nitro­phen­yl)-3-phen­oxy­azetidin-2-one

Crystal structure of 1,7,8,9-tetra­chloro-4-(3,5-di­chloro­benz­yl)-10,10-dimeth­oxy-4-aza­tri­cyclo­[5.2.1.0^2,6]dec-8-ene-3,5-dione

Crystal structure of ethyl 2-[2-((1E)-{(1E)-2-[2-(2-eth­oxy-2-oxoeth­oxy)benzyl­idene]hydrazin-1-yl­idene}meth­yl)phen­oxy]acetate

Crystal structure of 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium dibromide

Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione

Crystal structure of 1-methane­sulfonyl-1,2,3,4-tetra­hydro­quinoline

Crystal structure of (Z)-3-(4-meth­oxy­benzyl­idene)-2,3-di­hydro­benzo[b][1,4]thia­zepin-4(5H)-one

Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one

Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one

Crystal structure of 4-(di­methyl­amino)­pyridinium 4-amino­benzoate dihydrate

Crystal structure of N′-(2,6-di­methyl­phen­yl)benzene­carboximidamide tetra­hydro­furan monosolvate

Crystal structure of 3-carbamo­thio­ylpyridinium thio­cyanate

Crystal structure of 1,7,8,9-tetra­chloro-4-(2-fluoro­benz­yl)-10,10-dimeth­oxy-4-aza­tri­cyclo­[5.2.1.0^2,6]dec-8-ene-3,5-dione

Crystal structure of (E)-2-[4-(4-hy­droxy­phen­yl)butan-2-yl­idene]hydrazine-1-carbo­thio­amide

Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide

Crystal structure of O-iso­propyl [bis­(tri­methyl­sil­yl)amino](tert-butyl­amino)­phosphino­thio­ate

Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)eth­yl]benzamide monohydrate

Crystal structure of (2S,4R)-ethyl 4-nitro­methyl-1-[(S)-1-phenyl­eth­yl]-6-sulfanyl­idene­piperidine-2-carboxyl­ate

Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate

Crystal structure of N′-[(E)-(4-chloro­phen­yl)(phen­yl)methyl­idene]-4-methyl­benzene­sulfono­hydrazide

Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)ethanone

Crystal structure of 2-{[(2-chloro­phen­yl)imino]­meth­yl}phenol

Crystal structure of N¹,N¹-di­ethyl-N⁴-[(quinolin-2-yl)methyl­idene]benzene-1,4-di­amine

1,1′-{(Hexane-1,6-di­yl)bis­[(aza­niumylyl­idene)methanylyl­idene]}bis­(naphthalen-2-olate)

Crystal structure of [(2R,3R,4S)-3,4-bis­(acet­yloxy)-5-iodo-3,4-di­hydro-2H-pyran-2-yl]methyl acetate

Crystal structure of chlorfluazuron

Crystal structure of N-(propan-2-yl­carbamo­thio­yl)benzamide

Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-di­methyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione

Crystal structure of 1-(2,4-di­methyl­phen­yl)urea

Crystal structure of cyclo­hexyl­ammonium thio­cyanate

Crystal structure of (Z)-1-phenyl-3-styryl­undeca-2-en-4,10-diyn-1-ol

Crystal structure of (E)-1-(4′-methyl-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one

Crystal structure of (E)-N-(3,4-di­meth­oxy­benzyl­idene)morpholin-4-amine. Corrigendum

Corrigendum to Acta Cryst. (2014), E70, o935.