Crystal structure of 1-[(4-methyl­phen­yl)sulfon­yl]-2-phenyl­azetidine

In the crystal structure of 2-phenyl-N-tosyl­azetidine, there are three close con­tacts stabilizing the supra­molecular structure.

Synthesis, structure and computational study of 1-acetyl-3-(3,5-di­chloro­phen­yl)thio­urea

In the crystal, C—H⋯Cl and double-acceptor N—H⋯S and C—H⋯S hydrogen bonds link the mol­ecules into infinite chains parallel to the the b axis.

Crystal structure and Hirshfeld analysis of di-μ-bromido-bis­[(1-{[dimeth­yl(phenyl­thio­meth­yl)sil­yl]meth­yl}piperidine-κ²N,S)copper(I)] and di-μ-iodido-bis­[(1-{[dimeth­yl(phenyl­thio­meth­yl)sil­yl]meth­yl}piperidine-κ²N,S)copper(I)]

The dinuclear S,N-chelate title complexes feature a halide-bridged rhomboid-shaped Cu(μ₂-X)Cu (X = I, Br) core with Cu⋯Cu contacts of 2.8249 (5) and 2.7631 (6) Å, respectively. The two isostructural complexes crystallize in the triclinic space group P1 with half mol­ecule in the asymmetric unit.

Synthesis and crystal structure of di­bromido­bis­[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-yl­idene]palladium(II)

The synthesis and crystal structure of di­bromido­bis­[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-yl­idene]palladium(II) are presented

Lamellar crystal structure of the trigonal mixed-metal phosphate RbCoFe(PO₄)₂

In the title compound, all the cations occupy tetra­hedral sites, with the exception of rubidium, whose coordination number is twelve. The three types of tetra­hedra are linked at their vertices to form double layers stacked along the c-axis direction. The planes occupied by the rubidium ions are sandwiched between these layers.

Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1-b]thia­zol-2-yl)(4-chlorophen­yl)methanone

The title compound crystallizes in the monoclinic space group P2₁/c with two conformationally similar mol­ecules (Z′ = 2) in the asymmetric unit. The fused thia­zolo[3,2-a]benzimidazole framework is essentially planar, while the 4-chloro­benzoyl ring is inclined by ∼53° to the thia­zole ring in both mol­ecules. The crystal packing is consolidated by C—H⋯N hydrogen bonds, C—H⋯π contacts, and π–π stacking inter­actions, forming a three-dimensional supra­molecular framework.

Synthesis and structure of 1,1-bis­(furan-2-ylmethyl)-3-phenyl­urea

The asymmetric unit of the title compound contains two mol­ecules, A and B, with one furan ring in each mol­ecule showing ‘flip' rotational disorder. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into separate infinite ⋯A⋯A⋯A⋯ and ⋯B⋯B⋯B⋯ chains propagating along the c-axis direction.

Synthesis and structure of catena-poly[[[aquazinc(II)]-μ-2-({[amino­(sulfanid­yl)methyl­idene]amino}­imino)-2-phenyl­acetato-κ⁴O,N,S:O′] monohydrate]

The title Zn^II compound is a mono-periodic coordination polymer in which the doubly deprotonated phenyl­glyoxylic acid thio­semicarbazone ligand chelates one Zn^II ion through O, N and S donors and bridges to the next through its second carboxyl­ate O atom.

Crystal structure and Hirshfeld surface analysis of 3-(2,6-di­chloro­phen­yl)-1,5-bis­(thio­phen-2-yl)pentane-1,5-dione

In the crystal of the title compound, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds, forming a square-ring around a fourfold rotation axis parallel to the c-axis. In addition, C—H⋯π and π-π- inter­actions connect mol­ecules, forming a three-dimensional network.

Syntheses and structures of trans-di­aqua­bis­(propane-1,3-di­amine-κ²N,N′)nickel(II) salts of two isomeric naphthalene­disulfonates

Two new layered structures of trans-di­aquabis(propane-1,3-di­amine)­nickel(II) complexes with isomeric naphthalene­disulfonate counter-ions are presented.

Synthesis and structure of (NH₄)₁₂[Mo₃₆O₁₁₂(OH)₄(H₂O)₁₀], the first example of the [Mo₃₆O₁₁₂]⁸⁻ molybdate anion cluster to bear a charge of 12−

The single-crystal X-ray structure of (NH₄)₁₂[Mo₃₆O₁₁₂(OH)₄(H₂O)₁₀]·26H₂O reveals a new ammonium Mo₃₆ isopolymolybdate polymorph containing a 12− charged cluster whose formulation is supported by Mo—OH—Mo bond-distance analysis.

Crystal structure and Hirshfeld surface analysis of 3-(4-meth­oxy­phen­yl)-2-[(thio­phen-2-yl)carbon­yl]acrylo­nitrile

In the title crystal, mol­ecular pairs are connected by C—H⋯N contacts, producing R₂²(16) motifs parallel to the (001) plane. Mol­ecules are linked by C—O⋯π and π–π inter­actions, forming layers parallel to the (100) plane. These layers are connected by C—H⋯N inter­actions.

Crystal structure and Hirshfeld surface analysis of phenyl­alanine hydro­bromide

The crystal structure of phenyl­alanine hydro­bromide reveals a hy­dro­gen-bonded bilayer architecture further consolidated by weak C(sp²)—H⋯π inter­actions.

Synthesis, crystal structure and Hirshfeld surface analysis of (E)-5-meth­oxy-2-[(p-tolyl­imino)­meth­yl]phenol

The crystal structure of the Schiff base compound (E)-5-meth­oxy-2-[(p-tolyl­imino)­meth­yl]phenol is described, highlighting its non-planar mol­ecular conformation and intra­molecular O—H⋯N hydrogen bond. Hirshfeld surface and energy-framework analyses reveal that H⋯H contacts dominate the crystal packing, with dispersion inter­actions contributing significantly to the stabilization of the mol­ecular pairs.

Synthesis and crystal structure of ethyl 2-{[4-amino-5-cyano-6-(3,4-di­meth­oxy­phen­yl)pyrimidin-2-yl]sulfan­yl}acetate

In the title com­pound, the pyrimidine ring angle at the C atom between the N atoms is very wide, whereas the angles at the ring N atoms are narrow. The mol­ecules are linked by N—H⋯N≡C and N—H⋯O=C hy­dro­gen bonds, and by short inter­centroid contacts between pairs of pyrimidine rings.

Crystal structure and Hirshfeld surface analysis of 2-(di­meth­oxy­meth­yl)phenyl (3aRS,6SR,7RS,7aSR)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexa­hydro-3a,6-ep­oxy­iso­indole-7-carboxyl­ate

In the crystal, the mol­ecules are connected by C—H⋯O inter­actions, creating a three-dimensional framework. The mol­ecules are further connected by C—H⋯π inter­actions, forming layers parallel to the (101) plane.

Crystal structure and Hirshfeld surface analysis of an erbium(III) coordination polymer based on a 2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ate ligand

The crystal structure and Hirshfeld surface analysis of a new three-dimensional erbium(III) coordination polymer based on 2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ate ligand are reported.

Crystal structure and Hirshfeld surface analysis of 6-methyl-2,3-di­hydro-1,3-benzo­thia­zol-2-iminium 3-(1,3-benzo­thia­zol-2-ylsulfan­yl)propanoate

In the title salt, proton transfer from the carb­oxy­lic acid to the benzo­thia­zole ring N atom generates a 6-methyl-2,3-di­hydro-1,3-benzo­thia­zol-2-iminium cation and a 3-(1,3-benzo­thia­zol-2-ylsulfan­yl)propano­ate anion. The ions are linked by N—H⋯O hydrogen bonds into R²₂(8) motifs, which are further connected into layers parallel to (100).

Crystal structure and Hirshfeld surface analysis of ethyl 4-hy­droxy-1-methyl-5-oxo-2-(thio­phen-2-yl)-2,5-di­hydro-1H-pyrrole-3-carboxyl­ate

The title ester crystallizes with equal numbers of R and S enanti­omers related by in­ver­sion symmetry. Mol­ecules are linked by inter­molecular O—H⋯O hy­dro­gen bonds to form one-dimensional chains, which are further supported by weak C—H⋯O inter­actions, giving rise to a three-dimensional supra­molecular architecture.

Occupational disorder of cobalt and indium in the crystal structure of Co₅In₃SbSi₂O₁₆

Co₅In₃SbSi₂O₁₆ is isotypic with Co₈TeAs₂O₁₆ and comprises [CoO₆], [(In,Co)O₆], [SbO₆], [CoO₄] and [SiO₄] coordination polyhedra as principal building units.

Synthesis and crystal structure of the mixed-valent Te^IV/VI compound PbTe₃O₈

PbTe₃O₈ is a mixed-valent Te^IV/VI compound isotypic with SrTe₃O₈.

(2,2′-Bi­pyridine-κ²N,N′)di­methyl­indium iodide

The crystal structure of (2,2′-bi­pyridine-κ²N,N′)di­methyl­indium iodide is reported. Structural comparisons are made with other di­methyl­indium species and computational studies of [InMe₂(bpy)][I] derivatives examine the possibility of controlling metal accessibility through steric manipulation of the ligand sphere.

Crystal structure analysis, Hirshfeld surface analysis and DFT calculations of a one-dimensional neutral manganese(II) coordination polymer [(CH₃)₃NH][MnCl₂(H₂O)₂]Cl

The low-temperature redetermination of tri­methyl­ammonium manganese(II) chloride dihydrate confirms neutral one-dimensional chains of edge-sharing trans-[MnCl₄(H₂O)₂]_n octa­hedra extending along the b-axis direction. O—H⋯Cl and N—H⋯Cl hydrogen bonds are present in the crystal.

Synthesis, crystal structure and Hirshfeld surface analysis of di-μ₂-chlorido-bis­[(nitrato-κO)bis­(pyridine-κN)copper(II)]

The title compound is a centrosymmetric binuclear Cu^II complex, with one Cu^II ion, one chloride ligand, one nitrate ligand, and two pyridine ligands in the asymmetric unit.

Structures of the reaction products of lithium metal with N,N-di­methyl­acetamide and tetra­methyl­urea

The reaction of lithium metal with dry N,N-di­methyl­acetamide and N,N-tetra­methyl­urea produced crystals of the lithium N,N-di­methyl­acetoacetamidate and N,N-tetra­methyl­urea produces crystals of the lithium bis-1,2-(N,N-di­methyl­amino)­ethan-1-one-2-olate.

Synthesis and crystal structure of tetra­kis­(ethyl­ammonium) hepta­iodide(3−) iodide

The crystal structure of 4C₂H₅NH₃⁺·I₇^3–·I⁻ comprises disordered ethyl­ammonium cations, an isolated disordered I⁻ anion and a linear [I₇]^3– polyiodide anion. The crystal packing is consolidated by N—H⋯I inter­actions between cations and the anions.

Crystal structure of a 2:1 co-crystal of the anti­cancer drug lenalidomide with 1,3-resorcinol

The cocrystal of the anti­cancer drug lenalidomide with 1,3-resorcinol crystallizes in the triclinic centrosymmetric P1 space group, with two mol­ecules of lenalidomide and one mol­ecule of 1,3-resorcinol present in the asymmetric unit. The crystal structure is primarily consolidated by a network of strong N—H⋯O hydrogen bonds involving the glutarimide moieties of the lenalidomide mol­ecule. In addition, O—H⋯O hydrogen bonds involving the hydroxyl groups of 1,3-resorcinol and the carbonyl oxygen atoms of the isoindolinone and glutarimide moieties of lenalidomide further contribute to the cohesion and organization of the crystal packing.

Cooperative sp C—H⋯N and sp² C—H⋯N hydrogen bonding in the 1:1 cocrystal 1,2-bis­(pyrimidin-5-yl)ethyne–2,6-diethynyl­pyridine

The title cocrystal crystallizes in the monoclinic space group Pna2₁ with two mol­ecules of each component in the asymmetric unit. The structure contains π-stacked planar two-dimensional sheets with cooperative sp-C—H⋯N and sp²-C—H⋯N hydrogen bonds.