Crystal structure of the magnesium salt of the herbicide 2,4-D: penta­aqua­[(2,4-di­chloro­phen­oxy)acetato-κO]magnesium (2,4-di­chloro­phen­oxy)acetate hemihydrate

In the hydrogen-bonded structure of the Mg salt of the herbicide (2,4-di­chloro­phen­oxy)acetic acid (2,4-D), the metal atom is octa­hedrally coordinated by a monodentate 2,4-D ligand and five water mol­ecules, with a 2,4-D⁻ counter-anion and half a solvent water mol­ecule completing the crystal structure.

Crystal structure of bis­(2-{[(pyridin-2-yl)methyl­idene]amino}­benzoato-κ³N,N′,O)cobalt(II) N,N-di­methyl­formamide sesquisolvate

The coordination geometry around the central Co^II ion is unexpectedly different from that for the co-crystal of the title mol­ecule with anthranilic acid.

Crystal structure of 1-benzyl-4-(4-chloro­phen­yl)-2-imino-1,2,5,6,7,8,9,10-octa­hydro­cyclo­octa­[b]pyridine-3-carbo­nitrile

The title compound comprises a 2-imino­pyridine ring fused with a cyclo­octane ring, which adopts a twist boat–chair conformation. Inter­molecular C—H⋯N inter­actions form (14) ring motifs and mol­ecules are further connected by weak C—H⋯π inter­actions.

Crystal structure of 1,8-di­benzoyl-2,7-di­phen­oxy­naphthalene

In 1,8-dibenzoyl-2,7-di­phen­oxy­naphthalene, the planes of the benzene rings of the four naphthalene substituents are almost perpendicular to that of the naphthalene core.

Crystal structure of cyclo-bis­(μ₄-2,2-di­allyl­malonato-κ⁶O¹,O³:O³:O^1′,O^3′:O^1′)tetra­kis­(triphenyl­phosphane-κP)tetra­silver(I)

In the title compound, the silver(I) ions are coordinated by four tri­phenyl­phosphane ligands and two 2,2-di­allyl­malonate anions in a μ₄-(κ⁶O¹,O³:O³:O^1′,O^3′:O^1′) mode, setting up an Ag₄O₈P₄ core.

Crystal structures of isotypic poly[bis­(benz­imid­azolium) [tetra-μ-iodido-stannate(II)]] and poly[bis­(5,6-di­fluoro­benzimidazolium) [tetra-μ-iodido-stannate(II)]]

The bicyclic aromatic benzimidazolium cation stabilizes the layered perovskite structure comprising inorganic {[SnI₄]²⁻}_n sheets. A di­fluoro-substitution of the organic cation demonstrates the structural versatility of the new approach.

Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-di­nitro­benzoic acid with 4-amino­salicylic acid and 2-hy­droxy-3-(1H-indol-3-yl)propenoic acid

The crystal structures of the co-crystal adducts of 3,5-di­nitro­benzoic acid with 4-amino­salicylic acid (a 2:2:0.4-hydrate) and with 2-hy­droxy-3-(1H-indol-3-yl)propenoic acid (a 1:1:1 d⁶-DMSO solvate) show, respectively, polymeric and hexa­molecular hydrogen-bonded and π–π-bonded structures

Crystal structure of a samarium(III) nitrate chain cross-linked by a bis-carbamoyl­methyl­phosphine oxide ligand

The crystal structure of the title compound consists of a polymeric chain of Sm^III cations and nitrate anions, cross-linked in two dimensions with an organic ligand.

Crystal structure of (±)-(3aR,5R,8bR)-5-hydroper­oxy-2-phenyl-6-tosyl-4,5,6,8b-tetra­hydro­pyrrolo­[3,4-e]indole-1,3(2H,3aH)-dione

The title compound crystallized as racemic tandem OO—H⋯O=C hydrogen-bonded dimers stacked along [100] in the space group P. This is the first crystallographically characterized example of a hydro­peroxide obtained from the autoxidation of a Diels–Alder adduct of a 2-vinyl five-membered heterocycle.

Crystal structure of catena-poly[[potassium-tri-μ-di­methyl­acetamide-κ⁶O:O] iodide]

A one-dimensional chain formed by potassium bridged by μ₂-O-di­methyl­acetamide is reported. This represents a small class of di­methyl­acetamide complexes with oxygen bridging two metal centers.

Crystal structures of (E)-(3-ethyl-1-methyl-2,6-di­phenyl­piperidin-4-yl­idene)amino phenyl carbonate and (E)-(3-iso­propyl-1-methyl-2,6-di­phenyl­piperidin-4-yl­idene)amino phenyl carbonate

The title compounds are the 3-ethyl, (I), and 3-isopropyl, (II), derivatives of (1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate. The main difference in the conformation of the two compounds is the angle of inclination of the phenoxycarbonyl ring with respect to the piperidine ring mean plane, with a dihedral angle of 2.05 (8)° in (I) and 45.24 (13)° in (II).

Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate

The title salts, C₈H₁₃N₄⁺·Cl⁻, (I), and C₈H₁₃N₄⁺·NO₃⁻, (II), contain linked pyridinium–piperazine heterocycles. In the crystal of (I), weak N—H⋯Cl inter­actions lead to zigzag chains along [100] while in the crystal of (II), bifurcated N—H⋯(O,O) hydrogen bonds and weak C—H⋯O inter­actions collectively link the components into infinite chains along [100].

Crystal structure of anhydrous poly[bis­(μ₂-sarcosinato-κ³O,N:O′)copper(II)]

The copper(II) ion of the anhydrous form of bis­(sarcosinato)copper(II) exhibits a [4 + 2] coordination sphere with four shorter equatorial bonds to the N and carboxyl­ate O atoms of two sarcosinate anions, and two longer axial bonds to O atoms of neighboring complexes, leading to a sheet structure parallel to (001).

Crystal structure of bis­(1,3-bis­{[(1H-pyrrol-2-yl)methyl­idene]amino-κN}propan-2-olato-κO)manganese(III) nitrate methanol monosolvate

The Mn^III ion in the title compound shows a slightly distorted octa­hedral coordination geometry with two O and four N atoms of the pyrrolyl derivative ligand. In the crystal, inter­molecular N—H⋯O hydrogen bonds between the pyrrole group of the ligand and the uncoordinated nitrate ion give a chain structure along [10].

Crystal structure of 2-(1,3,7,9-tetra­methyl-2,4,6,8-tetra­oxo-1,2,3,4,6,7,8,9-octa­hydro­pyrido[2,3-d:6,5-d′]dipyrimidin-5-yl)benzamide di­methyl­formamide hemisolvate

In the crystal, the benzamide mol­ecules are linked by N—H⋯O hydrogen bonds to generate tetra­mers with an approximate square-prismatic shape, which appears to correlate with the tetra­gonal crystal symmetry.

Crystal structures of trans-acetyl­dicarbon­yl(η⁵-cyclo­penta­dien­yl)(di­methyl­phenyl­phosphane)molybdenum(II) and trans-acetyl­dicarbon­yl(η⁵-cyclo­penta­dien­yl)(ethyl­diphenyl­phosphane)molybdenum(II)

The crystal structures of the title compounds are compared, showing mol­ecular parameters that reflect the relative steric pressure of their respective phosphine ligands. Their supra­molecular properties are distinct but in both cases are organized around short C—H⋯O contacts involving the acetyl ligands.

Crystal structure of bis­[4-(di­methyl­amino)­pyridinium] bis­(2-nitro­benzoate) trihydrate

The title salt crystallized with two anions and two cations in the asymmetric unit, together with three water mol­ecules. In the crystal, the anions are linked via O—H⋯O hydrogen bonds, involving the water mol­ecules, forming chains along [100] and the cations are linked to these chains by N—H⋯O hydrogen bonds.

Crystal structure of (E)-1,3-di­methyl-2-[3-(3-nitro­phen­yl)triaz-2-en-1-yl­idene]-2,3-di­hydro-1H-imidazole

The title mol­ecule, a rare example of a π-conjugated triazene, crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, the two independent mol­ecules stack head-to-tail probably due to the presence of the dipole moment of the meta nitro group.

Crystal structure of 7-phenyl-7-(2,4,5-tri­methyl-3,6-dioxo­cyclo­hexa-1,4-dien-1-yl)hepta­noate 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium monohydrate: a new solid form of seratrodast

In the title compound, seratrodast has crystallized with trometamol to form a monohydrated salt. The carb­oxy­lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol.

Crystal structure of 2-pentyl­oxybenzamide

In the nearly planar 2-pentyl­oxybenzamide mol­ecule, there is an intra­molecular N—H⋯O hydrogen bond involving one amide proton and the ether oxygen. In the crystal, pairs of N—H⋯O hydrogen bonds organize mol­ecules into inversion dimers lying in two planes, (121) and (11).

Crystal structure of tris­(ethyl­enedi­ammonium) hexa­sulfatopraseodymium(III) hexa­hydrate

The Pr^III cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol­ecule. The [Pr(SO₄)₅(H₂O)] groups are arranged in sheets parallel to (010); two crystal water mol­ecules and two ethyl­enedi­ammonium cations connect the sheets via O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional framework structure.

Crystal structure of 3-{1′-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]ferrocenyl}-4-bromo­thio­phene

The first five-membered group-VI 3-ferrocenyl heterocycle bearing a further aromatic substituent at the 1′ position of the ferrocene backbone is reported.

Crystal structure of nitrido[5,10,15,20-tetra­kis(4-methylphenyl)­porphyrinato]­manganese(V)

In the title compound the Mn N_nitride distance is 1.516 (4) Å. The Mn atom is displaced from the plane defined by the four equatorial nitro­gen atoms toward the nitride ligand by 0.3162 (6) Å.

Crystal structure of the cage derivative penta­cyclo­[5.4.0.0^2,6.0^3,10.0^5,9]undeca-8,11-dione ethyl­ene di­thio­ketal

The penta­cyclo­undecane cage derivative exhibits unusual Csp³—Csp³ single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfon­yl)-5,7-di­methyl-1-benzo­furan

In the title compound, the dihedral angle between the plane of the benzo­furan ring and the 4-fluoro­phenyl ring is 82.45 (4)°. In the crystal, mol­ecules are linked via three different pairs of C—H⋯O hydrogen bonds, forming chains along [001] and enclosing two (10) and one (12) ring motifs.

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

In the square-planar [Ni(C₁₄H₁₁FNO)₂] complex, weak C—H⋯F and C—H⋯π inter­actions play an important role in the mol­ecular self-assembly, resulting in the formation of 2D mol­ecular sheets which are stacked along the b axis.

Crystal structure of 4-amino­pyridinium 5-(5-chloro-2,4-di­nitro­phenyl)-1,3-di­methyl-2,6-dioxo-1,2,3,6-tetra­hydropyrimidin-4-olate hemihydrate

In the title mol­ecular salt, the two rings of the barbiturate anion are inclined to one another by 43.40 (3)°. In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming zigzag chains along [10], which in turn are linked by O—H⋯O and C—H⋯O hydrogen bonds, forming slabs lying parallel to (10).

Crystal structure of di­methyl 3,3′-[(4-chloro­phen­yl)methyl­ene]bis­(1H-indole-2-carboxyl­ate)

In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers, which are linked by a further N—H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter­molecular C—H⋯π inter­actions present, the latter linking the chains to form a three-dimensional supra­molecular structure.

Crystal structure of 1-(2-chloro­acet­yl)-2,6-bis­(4-fluoro­phen­yl)-3,3-di­methyl­piperidin-4-one

In the title mol­ecule, C₂₁H₂₀ClF₂NO₂, the piperidine ring adopts a slightly-distorted boat conformation, the two benzene rings form a dihedral angle of 87.43 (1)° and a weak intra­molecular C—H⋯π inter­action is observed. In the crystal, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions connect mol­ecules forming a three-dimensional network.

Crystal structure of (2,11-di­aza­[3.3](2,6)pyridino­phane-κ⁴N,N′,N′′,N′′′)(1,6,7,12-tetra­aza­perylene-κ²N¹,N¹²)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile 1.422-solvate

The highlighted ruthenium complex forms discrete dimers by π–π stacking inter­actions and hydrogen bonds. This combination of inter­actions results in an unusual nearly face-to-face π–π stacking mode.

Crystal structure of bis­{μ-4,4′-[1,3-phenyl­enebis(­oxy)]dibenzoato-κ⁴O,O′:O′′,O′′′}bis­[(1,10-phenanthroline-κ²N,N′)zinc(II)] dihydrate

Crystal structure of bis­{μ-2-[(di­methyl­amino)­meth­yl]ferrocene­seleno­lato}bis­[chlorido­palladium(II)]

Crystal structure of azido­(η⁵-cyclo­penta­dien­yl)bis­(tri­phenyl­phosphane-κP)ruthenium(II) di­chloro­methane hemisolvate

Crystal structure of [2-({4-[2,6-bis­(pyri­din-2-yl)pyri­din-4-yl]phenyl}(methyl)amino)­ethanol-κ³N,N′,N′′]bis­(thio­cyan­ato-κN)zinc N,N-di­methyl­formamide monosolvate

Crystal structure of tetra­kis­(μ-n-butyrato-κ²O:O′)bis­[chlorido­rhenium(III)](Re—Re)

Crystal structure of bromido­bis­(naph­thalen-1-yl)anti­mony(III)

Crystal structure of [2,6-bis­(adamantan-1-yl)-4-tert-butylphenolato-κO]di­methylaluminium(III)

Crystal structure of di-μ-methano­lato-bis­{[N′-(1-benzoyl­prop-1-en-2-yl)thio­phene-2-carbohydrazidato-κ³O,N′,O′]oxidovanadium(V)}

Crystal structure of bis­[4-(4-chloro­benz­yl)pyridine-κN]bis­(thio­cyanato-κN)zinc

Crystal structure of tetra­aquabis(8-chloro-9,10-dioxo-9,10-di­hydroanthracene-1-carboxyl­ato-κO¹)cobalt(II) dihydrate

Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-tri­methyl-1-benzo­furan

Crystal structure of 4-chloro-N-{[1-(4-chloro­benzo­yl)piperidin-4-yl]meth­yl}benzamide monohydrate

Crystal structure of (3R)-3-benzyl-4-[(tert-but­oxy­carbon­yl)amino]­butanoic acid

Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one

Crystal structure of 5,10,15-tri­phenyl-20-(4,4,5,5-tetra­methyl-1,3,2-dioxaborolan-2-yl)porphyrin

Crystal structure of 2-chloro-1-(6-fluoro-3,4-di­hydro-2H-chromen-2-yl)ethanone

Crystal structure of 3-(3-oxo-2,3,4,4a,5,6-hexa­hydro­benzo[h]cinnolin-2-yl)propionic acid

Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetra­hydro­naph­thalen-1-yl­idene)hydrazinecarbo­thio­amide–pyrazine-2,3,5,6-tetra­carbo­nitrile (2/1)

Crystal structure of (E)-13-{4-[(Z)-2-cyano-2-(3,4,5-tri­meth­oxy­phen­yl)ethen­yl]phen­yl}parthenolide methanol hemisolvate

Crystal structure of (pyridin-2-yl­methyl­idene)(tri­phenyl­meth­yl)amine

Crystal structure of (R)-2′-benz­yloxy-[1,1′-binaphthalen]-2-yl tri­fluoro­methane­sulfonate

Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]

Crystal structure of 4,4-di­butyl-2-phenyl-3,4-di­hydro­quinazoline

Crystal structure of 2-[4-(methyl­sulfan­yl)quinazolin-2-yl]-1-phenyl­ethanol

Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-di­methyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate

Crystal structure of (E)-2-(2-{5-[(2-acet­oxy­eth­yl)(meth­yl)amino]­thio­phen-2-yl}vin­yl)-3-methyl­benzo­thia­zolium iodide monohydrate

Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth­yl]sulfan­yl}phenol

Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide

Crystal structure of 4-cyclo­hexyl-1-(propan-2-yl­idene)thio­semicarbazide

Crystal structure of flufenoxuron: a benzoyl­urea pesticide

Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] chloro­form monosolvate

Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one

Crystal structure of tolyl­fluanid

Crystal structure of 3-[4-(benz­yloxy)phen­yl]-2,3-di­hydro-1H-benzo[f]chromen-1-one

Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid

Crystal structure of 4-(1H-indol-3-yl)-2-(4-meth­oxy­phen­yl)-6-phenyl­pyridine-3-carbo­nitrile

Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate

Crystal structure of 4-((1E)-1-{(2Z)-2-[4-(4-bromo­phen­yl)-3-phenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene]hydrazin-1-yl­idene}eth­yl)phenol hemihydrate

Crystal structure of [(2S)-1-[(3S)-3-carb­oxy-6,7-di­meth­oxy-1,2,3,4-tetra­hydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-eth­oxy-1-oxo-4-phenylbutan-2-yl]azanium chloride aceto­nitrile monosolvate

Crystal structure of 4,5-bis­(3,4,5-tri­meth­oxy­phen­yl)-2H-1,2,3-triazole methanol monosolvate

Crystal structure of 2-bromo-1,4-dihy­droxy-9,10-anthra­quinone

Crystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde

Crystal structure of 1,3-bis­(4-hexyl-5-iodo­thio­phen-2-yl)-4,5,6,7-tetra­hydro-2-benzo­thio­phene

Crystal structure of 3,6-bis­(2-chloro­phen­yl)-1,2,4,5-tetra­zine: the acaricide clofentezine

Crystal structure of (4Z)-1-(3,4-di­chloro­phen­yl)-4-[hy­droxy(4-methyl­phen­yl)methyl­idene]-3-methyl-4,5-di­hydro-1H-pyrazol-5-one

Crystal structure of bis­(4-allyl-2-meth­oxy­phen­yl) terephthalate

Crystal structure of 2-bromo­benzoic acid at 120 K: a redetermination

Crystal structure of (5R)-5-[(1S)-1,2-di­hydroxy­eth­yl]-4-meth­oxy-3-phenyl-2,5-di­hydro­furan-2-one

Crystal structure of tri­phenyl(vinyl)­phospho­nium tetra­phenyl­borate

μ-Oxalato-bis­[bis­(tri­phenyl­phosphine)copper(I)] di­chloro­methane disolvate. Corrigendum

Corrigendum to Acta Cryst. (2013), E69, m126.