Bis[4‐(3‐pyridylmethyl­eneamino)­phenyl]methane

In the title Schiff base compound, C₂₅H₂₀N₄, the two rigid parts adopt an angular conformation, thus making the compound a potential non‐linear ditopic ligand for the construction of interesting coordination polymers.     

2′‐(4‐Fluoro­phenyl)‐[1,2,3]­triazolo[4′,5′:16,17]­androst‐5‐en‐3β‐ol methanol hemisolvate

The asymmetric unit of the title compound, C₂₅H₃₀FN₃O·0.5CH₃OH, contains four symmetry‐independent steroid and two methanol mol­ecules. The conformations of the independent steroid mol­ecules are very similar. Intermolecular O—H⋯O hydrogen bonds create two independent chains, each of which links two of the independent steroid mol­ecules plus one methanol mol­ecule via a co‐operative O—H⋯O—H⋯O—H pattern. Intermolecular C—H⋯O and C—H⋯F interactions are also observed.     

4‐[3‐(3,4‐Di­methoxy­phenyl)­prop‐2‐enoyl]­phenyl methacryl­ate and 4‐[3‐(2‐bromo­phenyl)­prop‐2‐enoyl]­phenyl methacryl­ate

Chalcones (α,β‐unsaturated ketones) are effective antitumour agents. It has been proved that having halogen or methoxy groups substituted in various positions of the phenyl ring enhances the activity of chalcones many times. The title compounds, C₂₁H₂₀O₅ and C₁₉H₁₅BrO₃, respectively, were chosen for crystallographic study in order to determine their structures and conformations. In both compounds, the keto group is in the s‐cis conformation and is almost planar. There are weak intramolecular interactions in both structures.     

Di­spiro­[fluorene‐9,5′‐[1,2,3,4]­tetra­thia­ne‐6′,9′′‐fluorene]

The tetra­thia­ne ring of the title compound, C₂₆H₁₆S₄, has a chair conformation and the mol­ecule has approximate C₂ symmetry. Each of the two fluorene ring systems is virtually planar, with the ring planes intersecting at an angle of 67.58 (5)°. This novel compound has been formed as a side product from the treatment of 9H‐fluorene‐9‐thione with methyl N‐[(benzyl­idene)­phenyl]­glycinate in the presence of LiBr and 1,6‐di­aza­bi­cyclo­[5.4.0]­un­decane.     

Ethyl N‐[2‐(hydroxy­acetyl)­phenyl]­carbamate,ethyl N‐[2‐(hydroxy­acetyl)‐4‐iodo­phenyl]­carbamate and ethyl N‐[2‐(hydroxy­acetyl)‐4‐methyl­phenyl]­carbamate

In ethyl N‐[2‐(hydroxy­acetyl)phenyl]carbamate, C₁₁H₁₃NO₄, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the mol­ecules are linked into simple chains by a single C—H⋯O hydrogen bond. The mol­ecules of ethyl N‐[2‐(hydroxy­acetyl)‐4‐iodo­phenyl]carbamate, C₁₁H₁₂INO₄, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐­[2‐(hydroxy­acetyl)‐4‐methyl­phenyl]carbamate, C₁₂H₁₅NO₄, crystallizes with Z′ = 2 in the space group P; pairs of mol­ecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking inter­actions.     

Bis{μ‐2‐[3‐(cyclo­hexyl­ammonio)­propyl­imino­methyl]­phenolato}bis­[di­chloro­copper(II)]

The title compound, [Cu₂(C₁₆H₂₄N₂O)₂Cl₄], is a dinuclear copper(II) complex with inversion symmetry. Each Cu^II atom is five‐coordinated by two O and one N atom from two Schiff base ligands, and by two Cl atoms, giving an approximately trigonal–bipyramidal coordination environment.     

3,6‐Bis(2‐pyridyl)di‐1,2,4‐triazolo­[3,4‐a:4′,3′‐c]­phthalazine

The title compound, C₂₀H₁₂N₈, (I), has been prepared by the reaction of 1,4‐dihydrazinophthalazine and pyridine‐2‐carbox­aldehyde, followed by an oxidative cyclization by treatment with bromine. In the solid state, the mol­ecules of (I) are discrete, comprising a fused and twisted four‐ring system with an overall helical appearance. The distance between the two intramolecular pyridyl N atoms is 3.075 (2) Å, this short contact distance suggesting a π–π interaction.     

Hydro­gen bonds and C—H⋯O ­interactions in the enol tautomer of 4‐­(phenylsulfonyl)spiro­[cyclo­pentane‐1,9′‐[9H]­fluorene]‐2,3‐dione

The title compound, 2‐hydroxy‐1‐(phenyl­sulfonyl)­spiro­[cyclo­pentene‐4,9′‐[9H]­fluoren]‐3‐one, C₂₃H₁₆O₄S, crystallized in the centrosymmetric space group P2₁/n with one mol­ecule as the asymmetric unit. The hydroxyl‐H atom is ordered and participates in a single intramolecular hydrogen bond and in a single intermolecular hydrogen bond, in which the O_D—H distance is 0.90 (2), H?O_A is 2.34 (3), O_D?O_A is 2.987 (2) Å and O_D—H?O_A is 129 (2)°. The intermolecular hydrogen bond forms an R(12) cyclic dimer about a center of symmetry. There are six leading C—H?O interactions. Taken together, these interactions form a three‐dimensional network. Structural comparisons are made with tetrabenzodi­spiro­[4.0.4.3]­tridecatetraene.     

1‐(2‐{4‐[6‐Hydro­xy‐2‐(4‐hydroxy­phenyl)­benzo­[b]­thiol‐3‐yl­carbonyl]­phenoxy}ethyl)­piperidinium chloride

The title compound, raloxifene hydro­chloride, C₂₈H₂₈NO₄S⁺·Cl^?, belongs to the benzo­thio­phene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo­[b]­thio­phene system. The benzo­[b]­thio­phene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl^? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations.     

trans‐[1,3‐Bis(2,4‐di­methyl­phenyl)­imidazolidin‐2‐yl­idene]­di­chloro­(tri­phenyl­phosphine‐κP)­palladium(II)

The title complex, [PdCl₂(C₁₉H₂₂N₂)(C₁₈H₁₅P)], shows slightly distorted square‐planar coordination of the palladium(II) metal center. The Pd—C bond distance between the N‐heterocyclic ligand and the metal atom is 2.008 (3) Å. The dihedral angle between the two di­methyl­phenyl ring planes is 33.17 (13)°.     

N‐[1‐(Penta­fluoro­phenyl)­ethyl]­acetamide

The title compound, C₁₀H₈F₅NO, crystallizes as a racemate with four symmetry‐independent mol­ecules in the asymmetric unit. The four mol­ecules form two hydrogen‐bonded pairs. Each pair is a building unit of an independent C(4) chain propagating parallel to the ab plane.     

10‐Ethyl‐3‐(4‐methoxy­phenyl)‐1,2,4‐triazolo­[4′,3′:2,3]‐1,2,4‐triazino[5,6‐b]­indole

Oxidative cyclization of 5‐ethyl‐3‐(4‐methoxy­benzyl­idene)­hydrazino‐1,2,4‐triazino­[5,6‐b]­indole gave the linearly annel­ated title compound, C₁₉H₁₆N₆O. The skeleton is approx­imately planar, except for the ethyl group.     

3‐[4‐(4‐Fluoro­phenyl)­piperazin‐1‐yl­methyl]‐5‐methyl‐1,3‐benzoxazol‐2(3H)‐one and 3‐[4‐(2‐fluoro­phenyl)­piperazin‐1‐yl­methyl]‐5‐methyl‐1,3‐benzoxazol‐2(3H)‐one

The title compounds, both C₁₉H₂₀FN₃O₂, contain essentially planar benzoxazolinone ring systems, within which the C—N bond distances and angles do not differ significantly between the two compounds. In both cases, the piperazine ring adopts an almost perfect chair conformation and the benzoxazo­l­inone ring system lies nearly perpendicular to it. The structures contain intermolecular C—H⋯O contacts, and the interactions between the benzoxazolinone and fluoro­phenyl­piperazine portions of the mol­ecules are segregated.     

Bis­[4‐(di­methyl­amino)­pyridinium] hexa­chloro­stannate(IV)

In the title compound, 4‐(di­methyl­amino)­pyridine is proton­ated on the pyridine N atom. The N(CH₃)₂ moiety is twisted 4.4 (2)° from the pyridine‐ring plane. The octahedral [SnCl₆]^2? anion is hydrogen bonded via trans‐Cl atoms to pyridinium N atoms from two cations forming (C₇H₁₁N₂)₂[SnCl₆] structural units.     

3,4‐[2,2‐Bis(methoxyethoxymethoxymethyl)propylenedithio]‐3′,4′‐(ethylenedithio)tetrathiafulvalene: a spiro‐substituted BEDT–TTF analogue

The crystal structure of the title compound [systematic name: 2‐(1,3‐dithiolo[4,5‐b][1,4]dithiin‐2‐ylidene)‐6,6‐bis(methoxyethoxymethoxymethyl)‐1,3‐dithiolo[4,5‐b][1,4]dithiepine], C₂₁H₃₀O₆S₈, a spiro‐substituted BEDT–TTF analogue [BEDT–TTF is bis(ethylenedithio)tetrathiafulvalene], has a strongly bent heterocyclic framework. The seven‐membered ring adopts a pseudo‐chair conformation with notably widened ring bond angles, especially at the methylene C atoms [119.49 (11) and 117.60 (11)°]. The axial side chain adopts an extended conformation, but the equatorial side chain curls back on itself and the O atom nearest the ring system is involved in three short contacts to H atoms (2.45–2.53 Å). The molecules pack in centrosymmetrically related pairs, which are isolated from each other by columns of the polyether side chains. This study emphasizes the ease of distortion of the neutral bis(propylenedithio)tetrathiafulvalene ring structure, and how the need to accommodate side chains can easily override the tendency of these donor systems to form stacks in the crystalline state.     

Bis­[4‐(2‐pyridyl­methyl­ene­amino)­phenyl] ether

The title compound, C₂₄H₁₈N₄O, is a bis‐bidentate Schiff base ligand exhibiting pseudo‐C₂ symmetry. The mol­ecule is twisted about the central ether linkage and exhibits an imine E configuration. In the crystal, the mol­ecules are linked by weak intermolecular C—H?N hydrogen bonds.     

3,3‐Bis(2‐methoxy­phenyl)‐3H‐benzo­[f]­chromene

The substituent methoxy group at the phenyl ortho position in the title compound, C₂₇H₂₂O₃, has an insignificant effect on the length of the Csp³—O bond and on the non‐planarity of the pyran ring. The cause of the changes in the photochemical properties is discussed.     

(Acetonitrile‐κN){2‐[bis­(2‐pyridylethyl)­amino]ethanol‐κ4N,N′,N′′,O}zinc(II) bis­(perchlorate) monohydrate

In the title compound, [Zn(C₂H₃N)(C₁₆H₂₁N₃O)](ClO₄)₂·H₂O, the Zn^II ion is coordinated by two pyridyl N atoms, one amine N atom, and an ethanol O atom from the N,N′,N′′,O‐tetra­dentate 2‐[bis­(2‐pyridylethyl)amino]­ethanol donor ligand. The fifth coordination site is filled by an acetonitrile N atom, and there is one solvent water mol­ecule in the asymmetric unit. The 2+ charge of the cationic portion of the complex is balanced by two perchlorate counter‐anions.     

3‐(4‐Acetyl­phenyl)‐1‐(4‐nitro­phenyl)­triazene

The crystal structure of the title compound, C₁₄H₁₂N₄O₃, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole mol­ecule is almost planar (r.m.s. deviation = 0.0654 Å), the interplanar angle between the phenyl rings being 0.7 (1)° and the largest interplanar angle being that between the phenyl ring and the nitro group of the 4‐nitro­phenyl substituent [11.5 (2)°]. Intermolecular N—H⋯O interactions between mol­ecules related by translation give rise to chains along the [110] and [10] directions, and these chains are held together by N⋯O π–π interactions. An unequal distribution of the double‐bond character among the N atoms suggests a delocalization of π electrons over the diazo­amine group and the adjacent aryl substituents.     

4′,4′,6′,6′‐Tetra­chloro‐3,4‐di­hydro‐3‐(6‐methyl­pyridin‐2‐yl)­spiro­[1,3,2‐benzox­aza­phosphinine‐2,2′‐(2λ5,4λ5,6λ5‐cyclo­triphosphazene)]

The title compound, C₁₃H₁₂Cl₄N₅OP₃, is a phosphazene derivative with a bulky substituted spiro­cyclic ring. The C₃NPO spiro­cyclic ring has a twist‐boat conformation, while the phosphazene ring has a very flattened boat conformation.