2-Cyano-2-iso­nitro­soacetamide–3,4-di­methylpyrazole (1/1): a co-crystal of two mol­ecules with agrochemical activities

In the structure of the title co-crystal, C₃H₃N₃O₂·C₅H₈N₂, the components are linked by a set of directional O—H⋯N, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds to yield a two-dimensional mono-periodic arrangement. The structure propagates in the third dimension by extensive π–π stacking inter­actions of nearly parallel mol­ecules of the two components, following an alternating sequence. The primary structure-defining inter­action is very strong oxime-OH donor to pyrazole-N acceptor hydrogen bond [O⋯N = 2.587 (2) Å], while the significance of weaker hydrogen bonds and π–π stacking inter­actions is comparable.

Crystal structure and Hirshfeld surface analysis of di­methyl 4′-bromo-3-oxo-5-(thio­phen-2-yl)-3,4,5,6-tetra­hydro-[1,1′-biphen­yl]-2,4-di­carboxyl­ate

In the title compound, mol­ecules are connected by inter­molecular C—H⋯S hydrogen bonds with (10) ring motifs, forming ribbons along the b-axis direction. C—H⋯π inter­actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure.

Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclo­pent-2-en-1-yl­idene}hydrazinecarbo­thio­amide

The synthesis, crystal structure and Hirshfeld analysis of cis-jasmone 4-ethyl­thio­semicarbazone are reported. The crystallographically independent mol­ecule shows disorder over the jasmone carbon chain and, in the crystal, the mol­ecules are linked by H⋯S and H⋯N inter­actions into mono-periodic hydrogen-bonded ribbons parallel to the b-axis.

Crystal structure and Hirshfeld surface analysis of 5-hy­droxy­penta­nehydrazide

δ-Valerolactone was reacted with hydrazine hydrate in methanol affording crystals of 5-hy­droxy­penta­nehydrazide, which were characterized via single-crystal X-ray diffraction. The compound crystallizes in the ortho­rhom­bic space group Pca2₁ without any crystallization solvent. The hydrazide functional group shows C—N and C=O bond lengths measuring 1.3376 (17) Å and 1.2375 (16) Å, respectively.

Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris­(2-methyl­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II)

In the crystal structure of the title compound, discrete complexes with a rare Co coordination are found, in which the Co^II cations are fivefold coordinated by two thio­cyanate anions and three 4-methyl­pyridine N-oxide coligands within a slightly distorted trigonal–bipyramidal coordination.

Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN³)[4-methyl-2-({[2-oxido-5-(2-phenyl­diazen-1-yl)phen­yl]methyl­idene}amino)penta­noate-κ³O,N,O′]copper(II)

The crystal structure is reported of the copper(II) complex with an amino acid Schiff base ligand synthesized from azo­benzene-salicyl­aldehyde, L-leucine and copper(II) acetate. The crystal structure features N—H⋯O hydrogen bonds.

Bis[tris­(diiso­butyl­dithio­carbamato)-μ₃-sulfido-tri-μ₂-di­sulfido-trimolybdenum(IV)] sulfide tetra­hydro­furan monosolvate

The structure of [Mo₃S₇(S₂CNⁱBu₂)₃]₂(μ₆-S) features a μ₆S₂²⁻ anion asymmetrically wedged between two [Mo₃S₇(S₂CNⁱBu₂)₃]⁺ cations with close μ₆-S²⁻⋯S₂²⁻ contacts that indicate significant covalency to the inter­actions.

Crystal structures of tri­chlorido­(4-methyl­piperidine)gold(III) and two polymorphs of tri­bromido(4-methyl­piperidine)­gold(III)

All three structures involve chains of mol­ecules linked by Au⋯halogen contacts; these are accompanied by hydrogen bonds or halogen⋯halogen contacts.

Synthesis, crystal structure and thermal properties of the dinuclear complex bis­(μ-4-methylpyridine N-oxide-κ²O:O)bis­[(methanol-κO)(4-methylpyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II)]

Reaction of Co(NCS)₂ with 4-methyl­pyridine N-oxide in methanol leads to the formation of Co₂(NCS)₄(4-methyl­pyridine N-oxide)₄(methanol)₂, in which the Co^II cations are linked by pairs of μ-1,1-bridging 4-methyl­pyridine N-oxide coligands into centrosymmetric dinuclear units.

Structure of the five-coordinate Co^II complex (1H-imidazole){tris­[(1-benzyl­triazol-4-yl-κN³)meth­yl]amine-κN}cobalt(II) bis­(tetra­fluoro­borate)

A novel five-coordinate Co^II complex based on two neutral ligands {tris­[(1-benzyl­triazol-4-yl)meth­yl]amine and imidazole} demonstrating a distorted trigonal bipyramidal geometry is presented.

Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(car­bamo­thioyl­amino)­imino]­eth­yl}phenyl propano­ate

The title compound adopts an E configuration with respect to the C=N bond. In the crystal, the mol­ecules are connected by pairs of N—H⋯S inter­actions, forming rings with (8) graph-set motifs, and by pairs of C—H⋯S inter­actions, where rings with graph-set motif (7) are observed.

Crystal structure and Hirshfeld surface analysis of 2,4-di­amino-6-[(1Z,3E)-1-cyano-2,4-di­phenyl­penta-1,3-dien-1-yl]pyridine-3,5-dicarbo­nitrile monohydrate

In the crystal, mol­ecules are connected by N—H⋯N and C—H⋯N, and O—H⋯N and N–H⋯O hydrogen bonds, to each other directly and through water mol­ecules, forming layers parallel to the (001) plane. C—H⋯π inter­actions between these layers ensure the cohesion of the crystal structure.

Crystal structure of (E)-N-(4-bromo­phen­yl)-2-cyano-3-[3-(2-methyl­prop­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

The two independent mol­ecules of C₂₃H₂₁BrN₄O are closely similar and roughly planar except for the isopropyl groups. They are connected by hydrogen bonds of the types N_amide—H⋯N≡C, H_phen­yl⋯O=C and H_phen­yl⋯Br.

Crystal structures of fourteen halochalcogenylphos­pho­nium tetra­halogenidoaurates(III)

The structures of fourteen halochalcogenyl­phospho­nium tetra­halogenidoaurates(III) of general formula [R¹_3-nR²_nPEX][AuX₄] (R¹ = t-butyl; R² = i-propyl; n = 0 to 3; E = S or Se; X = Cl or Br) are presented and compared.

Dimeric ethyl­tin(IV)–dibromide–hydroxide–N,N-di­methyl­formamide

The title com­pound exhibits the typical rhomboid-like four-membered Sn–OH ring found in all dimeric mol­ecules of monoorganotin(IV)–dihalide–hydroxides, with acute bond angles at the Sn atom, obtuse bond angles at O atoms and shorter Sn—O bond lengths trans to the ethyl groups.

Synthesis and crystal structure of (NH₄)[Ni₃(HAsO₄)(AsO₄)(OH)₂]

The crystal structure of the title compound consists of ²_∞[Ni₃As₂(OH)_6/3O_18/3O_1/1(OH)_1/1] layers extending parallel to (001) and exhibits disorder of the (O/OH) units of the (hydrogen)arsenate anion; the ammonium counter-cations are sandwiched between adjacent layers.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hy­droxy­phen­yl)amino]-5,5-di­phenyl-1H-imidazol-4(5H)-one

The five-membered ring is slightly ruffled and dihedral angles between the pendant six-membered rings and the central, five-membered ring vary between 50.78 (4) and 86.78 (10)°. In the crystal, O—H⋯N hydrogen bonds and weak π-stacking inter­actions form inversion dimers, which are linked into chains extending along the c-axis direction by two sets of N—H⋯O hydrogen bonds. The chains are connected into layers parallel to the bc plane by two sets of C—H⋯π(ring) inter­actions.

Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thio­phen-3-yl)cyclo­pent-1-en-1-yl]meth­yl}(phen­yl)amino)-4-oxobut-2-enoic acid

In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming ribbons along the a axis. Inter­molecular C—H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (01) plane. The mol­ecular packing is strengthened by van der Waals inter­actions between the layers.

Synthesis and crystal structures of N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate and N-iso­propyl­idene-N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate

Two aniline-based tri­fluoro­methyl­sulfonate (tri­fluoro­methane­sulfonate) salts, N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate and N-iso­propyl­idene-N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate, were synthesized and characterized by single-crystal X-ray diffraction.

Synthesis, crystal structure and anti­cancer activity of the complex chlorido­(η²-ethyl­ene)(quinolin-8-olato-κ²N,O)platinum(II) by experimental and theoretical methods

In the complex [Pt(C₉H₆NO)Cl(C₂H₄)], ethyl­ene coordinates with Pt^II in the η² manner and in the trans position compared to the coordinating N atom. The in vitro anti­cancer activity was investigated and DFT calculations were performed to support its anti­cancer activity.