Crystal structures of the homologues di­ethyl and di­methyl (10H-indeno­[1,2-b]quinoxalin-11-yl)phospho­nate: use of non-spherical scattering factors

The tetra­cyclic ring systems of the two title structures are essentially planar. Mol­ecules are linked by hydrogen bonds N—H⋯O=P, forming rings of graph set R²₂(12).

Crystal structures and Hirshfeld surface comparison of fumarate and bromide salts of the etoxazole metabolite designated R7 (aminium ions)

The crystal structures and Hirshfeld-surface analyses of bromide and fumarate salts of metabolite 'R7′ of the insecticide/acaricide etoxazole are presented.

An unusual two-dimensional MOF formed from Ni^II, thio­phene-2,5-di­carboxyl­ate and trans-1,2-bis­(pyridin-4-yl)ethyl­ene

A new Ni^II MOF, C₂₄H₁₇N₃NiO₄S·0.205(C₃H₇NO), was obtained under solvothermal conditions and its structure was determined by single-crystal X-ray diffraction.

Structural elucidation and Hirshfeld surface analysis of a fused thio­phene ester: methyl 3-[(naphtho­[2,1-b]thio­phen-5-yl)meth­yl]-1-benzo­thio­phene-2-carboxyl­ate

In the title compound, the two aromatic ring systems are arranged almost perpendicular to each other [dihedral angle 88.5 (2)°].

Synthesis and crystal structure of 4,6-di­amino-1-cyclo­hexyl-1,3,5-triazine-2(1H)-thione monohydrate

In the crystal structure of the title compound, the di­amino­triazine­thione (DTT) moiety and water mol­ecules are hydrogen bonded to form ribbons.

Crystal structure of (1Z,2Z)-N¹,N²-diiso­butyl-1,2-di­phenyl­ethane-1,2-di­imine

In the title compound, the dihedral angle between the phenyl rings is 89.23 (5)°. In the crystal, the mol­ecules are elongated along the c-axis direction and stacked along the b-axis direction. Neither intra- or inter­molecular hydrogen bondings nor π–π inter­actiones are observed. The weak C—H⋯π(ring) inter­actions may help in the consolidation of the packing.

A second monoclinic polymorph of ferrocenecarboxaldehyde

The asymmetric unit of the title compound contains two crystallographically independent ferrocenecarboxaldehyde mol­ecules. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. The hydrogen bonding, π–π, C—H⋯π(ring) and van der Waals inter­actions are the dominant inter­actions in the crystal packing.

Crystal structure of (Z)-3-{2-[(Z)-11H-indeno[1,2-b]quinoxalin-11-yl­idene]hydrazin­yl}-N-phenyl­but-2-enamide monohydrate

The title compound (Z)-3-{2-[(Z)-11H-indeno­[1,2-b]quinoxalin-11-yl­idene]hydrazin­yl}-N-phenyl­but-2-enamide monohydrate was synthesized and investigated using SCXRD. Except for the phenyl group, the mol­ecule is almost planar, and includes an intra­molecular N_hydrazin­yl—H⋯(O_carbon­yl, N_quinoxaline) hydrogen-bond system. Hydrogen bonds combine to form a layer structure.

A PtS-like 4².8⁴ topology arising from the self-assembly of square-planar nodes via organotin units: synthesis and crystal structure of the metal–organic framework {[(PhCH₂)₃Sn]₂Ni(CN)₄}_n

The self-assembly of K₂[Ni(CN)₄] with (PhCH₂)₃SnCl in a 1:2 molar ratio affords the title three-dimensional coordination polymer. This neutral guest-free metal–organic framework has a three-dimensional connectivity defined by the circuit symbol 4².8⁴.

Crystal structure of (dibenzo-21-crown-7)di­iodido­samarium(II) 1,2-di­meth­oxy­ethane hemisolvate

The title compound, [SmI₂(C₂₂H₂₈O₇)]·0.5C₄H₁₀O₂ or Sm(dibenzo-21-crown-7)I₂, was obtained as a minor product by layering di­meth­oxy­ethane solutions of SmI₂ and dibenzo-21-crown-7. The asymmetric unit consists of one Sm(dibenzo-21-crown-7)I₂ moiety and half a di­meth­oxy­ethane solvent mol­ecule in the outer sphere.

1-Ethenyl-2-(methyl­sulfan­yl)-4,4-di­phenyl-4,5-di­hydro-1H-imidazol-5-one (Thio­phenytoin analogue): synthesis, structure and Hirshfeld surface analysis

The title compound C₁₈H₁₆N₂OS has a slightly ruffled imidazolone ring with N–C π delocalization. In the crystal, C—H⋯O dimers link into b-axis chains via C—H⋯π contacts, with H⋯H inter­actions dominating the packing.

Synthesis and structure of a 1:1 1-phenyl­semicarbazide–1-phenyl­pyrazolidin-3-one cocrystal

The title cocrystal was obtained by the cocrystallization of 1-phenyl­semicarbazide (A) and 1-phenyl­pyrazolidin-3-one (B) in a 1:1 molar ratio from methanol solution. The structure features a gauche arrangement about the N—N bond in the semicarbazide fragment and a twisted conformation of the pyrazolidinone ring. In the extended structure, the mol­ecules are linked by A → A and B → A N—H⋯O hydrogen bonds, supplemented by C—H⋯π contacts to generate a three-dimensional supra­molecular framework.

Crystal structure and Hirshfeld surface analysis of luteolin di­methyl sulfoxide monosolvate

The title compound crystallizes in the monoclinic space group P2₁. The luteolin mol­ecule adopts a planar conformation, and the crystal structure is consolidated by extensive hydrogen-bonding inter­actions.

Crystal structure of Na₄(As₂O₅)(H₂O)_0.5 and a survey of the pyroarsenite anion, (As₂O₅)⁴⁻

The crystal structure of Na₄(As₂O₅)(H₂O)_0.5 consists of a half-eclipsed (As₂O₅)^4– anion embedded in a framework of [NaO₄] and [NaO₆] polyhedra. O—H⋯O hydrogen-bonding consolidates the packing.

Synthesis, crystal structure and Hirshfeld surface analysis of bis­[N-(4-chloro­benz­yl)-N-do­decyl­dithio­carbamato-κ²S,S′]palladium(II)

The title compound crystallizes about an inversion centre in the monoclinic space group C2/c. The Pd^II cation adopts a square-planar coordination geometry defined by four sulfur atoms from two N-(4-chloro­benz­yl)-N-do­decyl­dithio­carbamate anions. The crystal packing features C—H⋯S hydrogen bonds, which form a belt motif.

Syntheses and crystal structures of di­chlorido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II), di­bromido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II) and aqua­(2,6-di­methyl­pyrazine-κN)di­iodido­zinc(II)

The syntheses and crystal structures of three complexes with the composition ZnCl₂(2,6-di­methyl­pyrazine)(CH₃OH) (1), ZnBr₂(2,6-di­methyl­pyrazine)(CH₃OH) (2) and ZnI₂(2,6-di­methyl­pyrazine)(H₂O) (3) are reported. Each consists of discrete complexes that are linked by hydrogen bonding.

Syntheses and crystal structures of bis­(2,3-di­methyl­pyrazine-κN)di­iodido­cadmium(II) and catena-poly[[di­iodido­cadmium(II)]-μ-2,3-di­methyl­pyrazine-κ²N¹:N⁴]

The syntheses and crystal structures of [CdI₂(2,3-di­methyl­pyrazine)₂](1) and [CdI₂(2,3-di­methyl­pyrazine)]_n (2) are reported. Compound 1 consists of discrete complexes, whereas in 2 the Cd cations are linked into chains by bridging 2,3-di­methyl­pyrazine ligands.

Hydrogen bonds or not? Synthesis and structure of 2,3-di­cyanona­phthalene-1,4-diyl bis­(4-methylbenzene-1-sulfonate)

In the title compound, the pendant para toluene moieties are inclined to the central naphthalene-2,3-dicarbo­nitrile grouping by 45.82 (7) and 42.41 (6)°. The crystal packing features offset parallel π–π stacking and C—H⋯π inter­actions.

Crystal structure and Hirshfeld surface analysis of 2,6-bis­[4-(eth­oxy­carbon­yl)-5-methyl­pyrazol-1-yl]pyridine

The synthesis and crystal structure of a new organic compound, 2,6-bis­[4-(eth­oxy­carbon­yl)-5-methyl­pyrazol-1-yl]pyridine is reported. A detailed analysis of the inter­molecular contacts in the crystal packing was performed using Hirshfeld surface analysis.

Crystal structure, spectroscopic characterization, and Hirshfeld surface analysis of (E)-6-(ferrocenylmethyl­idene)-6,7-di­hydro-5H-indeno­[5,6-d][1,3]dioxol-5-one

A single crystal of ferrocenyl indanone, which crystallized in the monoclinic space group P2₁/c was investigated by X-ray diffraction, Hirshfeld surface analysis and NMR spectroscopy. In the crystal, mol­ecules are arranged in pairs with asymmetrical stacking by O⋯H inter­molecular inter­actions.

Crystal structure and Hirshfeld surface analysis of ethyl 2-amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­cyclo­octa­[b]pyridine-3-carboxyl­ate

In the title compound, the cyclo­octene ring has a boat–chair conformation.

Crystal structure and Hirshfeld surface analysis of 3,3′-(sulfanedi­yl)bis­(2-iodo-1-methyl-1H-indole)

The title compound consists of two N-methyl-2-iodo­indole units linked by a thio­ether bridge in a gauche conformation. In the crystal, short I⋯C and I⋯π contacts dominate the packing and generate a herringbone motif.