Cerous sodium nitrate monohydrate, Na₂Ce(NO₃)₅·H₂O

The structure of Na₂Ce(NO₃)₅·H₂O consists of isolated chains of 12-coordinate Ce atoms. Na atoms and water mol­ecules are located between the chains.

Silver niobium trioxide, AgNbO₃

AgNbO₃ is a tilted perovskite which is isostructural with NaNbO₃ at room temperature.

Clemizoledi­chlorocobalt(II)

Tri­aqua(oxalato-O,O′)oxovanadium(IV) dihydrate

catena-Poly[[tetra­kis­(μ-3,3-di­methylbutyrato-O:O′)dicopper(II)]-μ-3,3-di­methylbutyrato-O:O′-[bis­(2,6-di­methylpyridine-N)copper(II)]-μ-3,3-di­methylbutyrato-O:O′] and tetra­kis­(μ-2,2-di­methylpropanoato-O:O′)bis­[(2,6-di­methylpyridine-N)copper(II)]

Bis(1,10-phenanthroline-N,N′)(thio­sulfato-O,S)­nickel(II)–water–methanol (1/0.92/1.4) and bis­(2,2′-bi­pyridyl-N,N′)(thio­sulfato-O,S)nickel(II)–water–methanol (1/2/0.55)

[1,3-Bis(di­phenyl­phosphino)prop­ane]­tri­chloro­oxorhenium(V)

Di­chloro­bis­(3,5-di­methyl­pyrazole-N²)methyl­phenyl­tin(IV)

Di­aqua­bis­(4,5-di­hydro-1,2,4-triazolo[1,5-a]­pyrimidin-5-one-N³)bis­(thio­cyanato-N)­nickel(II)

Transition metal complexes with thio­semicarbazide-based ligands. XV. A square-pyramidal Ni^II complex with an asymmetric coordination of 2,6-di­acetyl­pyridine bis­(S-methyl­iso­thio­semicarbazone)

(N,N-Di­iso­propyl­dithio­carbamato-S,S′)­bis­(tri­phenyl­phosphine-P)­gold(I) butane solvate

trans-Di­chloro(1,5,9,13-tetra­methyl-1,5,9,13-tetr­aza­cyclo­hexa­decane-κ⁴N)ruthenium(III) triiodide

Tetra­aqua­bis­[2-(4-pyridyl)ethanesul­fonato-N]­zinc(II)

trans-Chloro(2-nitro­benzene­thiolato-S)­bis­(tri­phenyl­phosphine-P)palladium(II) mono­acetone solvate

trans-Bis­(di­ethano­lamine)­bis­(iso­thio­cyanato)­nickel(II)

(Benzoyl­acetonato)­chloro(1,10-phen­anthroline)copper(II)

Bis­[3-(o-meth­oxy­phenyl)-1-methyl­triazene 1-oxidato-O,N³,O′]­zinc(II)

Bis­[(R)-1-phenyl­ethyl isocyanido](5,10,15,20-tetra­kis­{2,6-bis­[(S)-2,2-di­methyl-1,3-dioxolan-4-yl­methyl­oxy]­phenyl}­porphyrin)­ruthenium(II) at 110 K

A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris­(6-mercaptopurine)iron(II) tetra­chloroferrate(III) chloride

Bis(μ-hexa­methyl­enetetr­amine)­bis­(aqua­dibromo­cadmium)­diaqua­dibromo­cadmium dihydrate

fac,trans-[(2,2′-Bi­pyridine-N,N′)tri­carbonylrhenium(I)]-μ-(4,4′-bi­pyridine)-N:N′-{chlorobis[1,2-phenylenebis(di­methylarsine)]ruthenium(II)} bis­(hexa­fluorophosphate) diacetone solvate

Linear chains in polymeric di­cyclo­hexyl­ammonium tri­butyl­(4-oxo-4H-pyran-2,6-di­carboxyl­ato)­stannate and methyl­phenyl­ammonium tri­butyl(pyridine-2,6-di­carboxyl­ato)­stannate containing trigonal bipyramidal tin

Di-μ-bromo-bis­[bromo(di-2-pyridylmethanediol-N,O,N′)­cadmium(II)] trihydrate

A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases

A combinatorial chemistry approach to new materials for non-linear optics. II. 4-(Di­methylamino)cinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-di­nitroaniline

(24R)-24,25-Di­hydroxycyclo­artan-3-one

(4S,5S)-(+)-4-Hydroxy­methyl-2,5-di­phenyl­oxazoline

Triterpenoide. XX. 3β-Acet­oxy-12-oxo-18β-olean- und 3β-Acet­oxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methyl­ester

Benzyltri­phenylphosphonium gluta­conaldehyde

2′-De­oxy-5-methylisocytidine

(E)-2-[2-(1-Naphthyl)­vinyl]-3-tosyl-2,3-di­hydro-1,3-benzo­thia­zole

Piv-Proψ[CH₂–NH–O]Gly–NHⁱPr

Inclusion of HNEt₃⁺ in an acyclic tetraphenolate

3-Nitro-1-nitro­methyl-1H-1,2,4-triazole

Tetra­kis­(3,4-ethylene­dioxy-2-thienyl)silane carbon tetrachloride solvate

(M)- and (P)-8-[(1S,2R)-2-hy­droxy-1-methyl-2-phenylethyl]-8-methyl-8,9-di­hydro-7H-dinaphth[2,1-c:1′,2′-e]azepinium bromide solvates

Di­methyl (1-methyl-1,3-benzimidazol-5-yl)­amino­methyl­ene­propane­dioate monohydrate

1-[2-(1-Hy­droxy­cyclo­hexyl)-2-(4-meth­oxy­phenyl)­ethyl]­dimethyl­ammon­ium chloride (venlafaxine hydro­chloride)

1,2-Di­benzoyl­hydrazine

p-Meth­oxy­benz­aldehyde benzoyl­hydrazone monohydrate

4-Hydroxy-3-meth­oxy­benz­aldehyde 4,5-di­azafluoren-9-yl­idene­hydrazone

4,5-Di­azafluoren-9-one benzoyl­hydrazone monohydrate

3,6,9,16,19,22-Hexa­aza­tri­cyclo[22.2.­2.2^11,14]­tria­conta-11,13,24,26(1),27,29-hexa­ene penta­hydrate

Hydrogen bonding and C—H⋯O interactions in 3-(3-amino­phthal­imido)phthalic acid dihydrate

C—H⋯O interactions in di­ethyl 5,5′,6,6′-tetra­methyl­biphenyl-2,2′-di­carboxyl­ate at 193 K

1H-Pyrrolo[2,3-b]pyridine-3-acetic acid as a molecular probe for use in auxin physiology

2-(4-Methoxyphenyl­azo)-4-phenyl­phenol

Comparison of the two anomers of methyl 2-(N-benzyl­amino)-2,3-di­deoxy-4,6-O-phenyl­methyl­ene-3-C-phenyl­sulfonyl-D-gluco­pyran­oside

Tri­phenyl­methanol–tri­phenylphos­phine oxide (1/1)

YC-1, an activation inductor of soluble guanylyl cyclase

Two key chiral intermediates in a new 4-hy­droxy­isoleucine synthesis

(1E,3E,5E)-1,2,3,4,5,6-Hexa­fluoro-1,6-di­phenyl­hexatriene

O-Iso­propyl N-(2-furoyl)­thio­car­bam­ate

2-[(4-Hydroxyphenyl)imino­methyl]­thiophene

2,4-Bis(α,α-di­methyl­benzyl)­phenol

Ranitidine hydro­chloride, a polymorphic crystal form

NEt₄OH·5H₂O containing hydroxide–water layers

Sarcosinium tri­fluoro­acetate

(–)-(1R,2S,2′R,5R)-2-(1-Hydroxyprop-2-yl)-5-methyl­cyclo­hexanol. Corrigendum

Dineodymium di­hydrogen α-hexa­molyb­doplatinate(IV) tetra­deca­hydrate, Nd₂[H₂α-PtMo₆O₂₄]·14H₂O

The least protonated hexamolybdoplatinate(IV) polyanion, [H₂α-PtMo₆O₂₄]⁶⁻, was isolated by using Nd³⁺ as a counter-cation. Two O atoms of the central PtO₆ octahedron are protonated.

Tri­benzyl(η⁵-penta­methyl­cyclo­penta­dienyl)­hafnium(IV)

The title compound adopts a monomeric three-legged piano-stool structure with one benzyl ligand disordered between two sites related by a ∼30° rotation about an axis defined by the Hf atom and the ipso-C atom of the benzyl ligand. There are no short Hf⋯C_ipso contacts (no distances less than 3.1 Å), indicating no significant Hf–Ph interactions.

Chloro(η⁶-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-di­hydro-2H-1,2,4-triaz­epine-3-thiol­ato-κ²N⁴,S)­ruthenium(II)

The novel title ruthenium(II) complex was synthesized from the reaction of 1,2,4-triazepine, a new class of bidentate ligands, with [Ru(p-cymene)Cl₂]₂. The 1,2,4-triazepine ligand is coordinated to the metal centre through the N-4 and S atoms, forming a four-membered chelate ring. This is the first structural example of a transition metal complex containing a 1,2,4-triazepine ligand.

Methyl­tri­phenyl­stibonium tetra­fluoro­borate

In methyl­tri­phenyl­stibonium tetra­fluoro­borate, prepared from triphenylantimony and trimethyloxonium tetra­fluoro­borate, there are four independent cations and anions in the asymmetric unit. The geometry around the Sb atom is distorted tetrahedral.

Trigonal–planar silver coordination in (3,5-di­nitro­benzoato)­bis­(tri­phenyl­phosphine)­silver(I)

The three-coordinate Ag atom in the title compound, prepared from bis­[acetato­(tri­phenyl­phosphine)silver] hemihydrate and 3,5-nitro­benzoic acid, shows trigonal–planar coordination [P—Ag—P = 147.1 (1)° and Σ_Ag = 359.0 (3)°]. Adjacent mol­ecules are linked through the O atoms of adjacent nitro groups [Ag⋯O = 3.205 (3) and 3.302 (4) Å] into a zigzag chain running parallel to the c axis of the monoclinic cell.

Tris(2,2′-bi­pyridyl-N,N′)­iron(II) diperchlorate

The title compound is isomorphous with the Zn^II and Ru^II analogues. A twofold axis passes through the metal atom and the midpoint of the C—C bond joining the two pyridyl rings of one of the bi­pyridyl ligands. Thus, the asymmetric unit contains one metal on a special position, one perchlorate, and one and a half bi­pyridyl ligands.

{2,2′-[(R,R)-Cyclo­hexane-1,2-diyl­bis­(nitrilo­methyl­idyne)]­bis­[6-tert-butyl-4-(tri­phenyl­phosphonio­methyl)­phenol­ato]-O,N,N′,O′}copper(II) dichloride hexa­kis­(deutero­chloro­form) solvate

The complex cation of the title complex crystallizes in two different conformations. Both Cu^II ions lie on twofold axes and have a planar coordination.

Aqua­bis­(benzo­nitrile)(o-benzo­quin­one di­imine)(tri­phenyl­phosphine)­ruthenium(II) bis­(tetra­fluoro­borate) hydrate

The Ru atom in the title complex shows an octahedral coordination. The benzo­nitrile ligands are in the same plane as the o-benzo­quinone di­imine ligand. Bond distances for the benzo­quinone di­imine ring establish a quinone arrangement, showing that the highly acidic behaviour of the benzo­nitrile ligands does not influence the arrangement.

catena-Poly­[[di­aqua­(isonicotinato-O,O′)­europium(III)]-di-μ-isonicotin­ato-O:O′]

The title complex has a double carboxyl­ate-bridged infinite-chain structure with one chelating carboxyl­ate group on each Eu ion centre, which also binds to two water mol­ecules to yield an eight-coordinate square-antiprismatic geometry.

[Hy­droxy­tris­(penta­fluoro­phenyl)­borato-O][N-iso­propyl-2-(iso­propyl­amino)­troponiminato-N]­methyl­indium(III)

The title complex crystallizes as an ion pair linked through a bridge. There are two independent mol­ecules in the asymmetric unit with essentially identical metric parameters, but appreciably different conformations.

Bis­[μ-2-(1,4,7,10-tetraoxa-13-aza­cyclo­pentadeca-13-yl)­cyclo­hepta-2,4,6-trien-1-one]­bis­[bis­(thio­cyanato)­barium(II)]

The title complex has 2:2 stoichiometry with C_i symmetry. Each Ba²⁺ ion is nine-coordinate, including one N atom and four O atoms of the macrocyclic ligand, two N atoms of the thio­cyanate ligands and one O atom from each of the tropone units.

(4,6-Dimercapto-1,3,5-triazine-2-thiol­ato-S²)­tris­(tri­phenyl­phosphine-P)gold(I) di­methyl­form­amide solvate

In the crystal structure of the title compound, the Au^I atom has a distorted tetrahedral geometry consisting of one uncoordinated di­methyl­form­amide mol­ecule, one tri­thio­cyanurate ligand and three PPh₃ ligands. The Au—S distance is 2.909 (2) Å and the average P—Au distance is 2.403 Å.

Chromate de 2,2-diméthylpropylènedi­ammonium

The crystal structure of the title compound consists of layers built up from chromate anions alternating with 2,2-dimethylpropylenediammonium cations. N—H⋯O hydrogen bonds contribute to the cohesion and stability of the structure.

cis-Bis(3,6-di­hydro-2H-1,2-oxazine-N)­diiodo­platinum(II) and cis-bis­(3,4,5,6-tetra­hydro-2H-1,2-oxazine-N)­diiodo­platinum(II)

The title complexes, (I>) and (II>), respectively, show similar square-planar coordination geometries with modest deviations from ideality. In both complexes, the positioning of the oxazine rings results in an unsymmetrical distortion of the I—Pt—N angles, with one expanded by approximately 4° and the other contracted by approximately 2°.

(2-Hydroxy-5-methyl­phenyl)­diphenyl­phosphine oxide

Pairs of individual mol­ecules containing tetrahedrally coordinated P atoms are connected across crystallographic inversion centres via complementary O—H⋯O=P hydrogen bonds.

Redetermination of cis-4-cyclo­hexene-1,2-di­carboxylic acid at 173 K

The structure of the title compound, C₈H₁₀O₄, originally determined at room temperature, has been redetermined at 173 K. There are no significant differences between these structures.

3,6-Bis­(4-hy­droxy­benzyl)­piperazine-2,5-dione

In the title compound, C₁₈H₁₈N₂O₄, the piperidine ring adopts a chair conformation. The 4-hydroxy­benzyl groups are in quasi-axial positions. A two-dimensional network is formed through N—H⋯O and O—H⋯O intermolecular hydrogen bonds and C—H⋯O interactions.

Two isomeric di­deoxy­nucleosides

One di­deoxy­nucleoside, (I>), is an analogue of (S,S)-isodi­deoxy­adenosine and is structurally similar but is anti-HIV inactive. Compound (II>) is a novel isomer with the sugar attachment at N3 of the base. The two independent mol­ecules differ in the conformation of the sugar ring.

Hydrogen bonding in ethyl­ene­diammonium bis­(hydrogen malonate) mono­hydrate

The anion in the title compound has a strong intramolecular O—H⋯O hydrogen bond of 2.430 (2) Å. The water mol­ecule lies on a twofold axis and connects the anions into pairs and the centrosymmetric cations into chains through hydrogen bonding.

1,2-Bis(8-quinolyl­thio­methyl)­benzene

In the title potentially tetradentate N,S,S,N-donor ligand, the two S atoms adopt a trans conformation, lying above and below the benzene ring. The two quinoline rings are planar, with one parallel to the benzene ring and the other nearly perpendicular to it.

7-Meth­oxy-3-(salicyl­idene­amino)­coumarin

Molecules of the title compound, prepared by the condensation of 7-methoxy-3-amino­coumarin with salicyl­aldehyde in chloro­form, are planar and adjacent mol­ecules are linked by electrostatic C—H⋯O interactions into a linear chain.

N-Benzyl-4-methyl-N-[(3aR*,4R*,7aR*)-6,6,7a-tri­methyl­per­hydro­inden-4-yl]­benzene­sulfon­amide

The crystal structure of the title compound shows cis annulation of the fused rings of the per­hydro­indene substructure, as well as a 4R* configuration of the sulfon­amido group.

Bis(2-carb­oxy­anilinium) sulfate monohydrate

The title compound exhibits a complex three-dimensional network of hydrogen bonds. Its suitability for possible charge–density study was investigated but the quality of the crystals did not seem sufficient for this purpose.

(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diiso­propyl-3-phenyl­propan­amide and (+)-(2R,3S)-3-bromo-2-chloro-N-(4-nitro­phenyl)-3-phenyl­propan­amide

The stereochemistries at positions 2 and 3 of the title compounds, (I>) and (II>), have been confirmed by X-ray structural analysis to be R and S, respectively. The halogen atoms adopt an antiperiplanar arrangement in each case.

(5S*,6R*)-1,7-Dioxa­dispiro­[4.0.4.4]­tetra­decane-2,8-dione

The structure analysis of the title di­spiro compound establishes a cis configuration of the two five-membered-ring lactones fused to the six-membered carbocycle.

Phenyl­phosphinic acid

The crystal structure of the title compound, O=P(OH)(H)(C₆H₅), shows a continuous hydrogen-bonding network in the x direction, with a P—O⋯O=P distance of 2.513 (3) Å.

Ferroelastic n-propyl­ammonium di­hydrogenphosphate

n-Propyl­ammonium di­hydrogenphosphate is ferroelastic. Ferroelastic switching is concomitant with the hopping of some H atoms involved in hydrogen bonds from donor to acceptor O atoms.

(1R,8R,11R)-3,3,11-Tri­methyl-6,6-ethyl­ene­dioxy­bicyclo­[6.3.0]­undecan-2-one and (1R,2R,8R,11R)-3,3,11-tri­methyl-6,6-ethylene­dioxybi­cyclo[6.3.0]undecan-2-ol

The reduction of (1R,8R,11R)-3,3,11-tri­methyl-6,6-ethyl­ene­dioxy­bi­cyclo[6.3.0]­undecan-2-one, (I>), by LiAlH₄ gave exclusively a (1R,2R,8R,11R)-alcohol, (II>). The conformation around the eight-membered carbocycle in (I>) differs markedly from that in (II>).

A steroidal phenyldi­hydro-1,3-oxazine derivative

The title compound was synthesized from an azidopregnene derivative. The di­hydro-1,3-oxazine ring is connected in the β position to the sterane skeleton at C-17. An R configuration was found at C-20.

p-Cresyl 2,3-an­hydro-5-de­oxy-5-phthal­imido-1-thio-α-D-lyxo­furan­oside

The furan­ose ring in the title compound adopts an envelope conformation with the ring O atom displaced above the plane (^OE). The pseudo-rotational phase angle (P) is 88.6° and the puckering amplitude (τ_m) is 31.5°. The aglycone lies in the exo-anomeric effect preferred position with a C₂—C₁—S—C(Ph) torsion angle of −163.2 (2)°.

[2-(1H-Inden-3-yl)­ethyl]­diphenyl­phos­phine–borane

The title compound is a phosphine ligand protected by borane adduct formation. The P—B bond length of 1.923 (3) Å is within the expected range. The indene moiety is essentially planar.