A tetra­nuclear nickel(II) complex, [Ni₄(L)₄](ClO₄)₄·C₂H₃N·2H₂O, with an asymmetric Ni₄O₄ open-cubane-like core

A tetra­nuclear complex with an open-cubane like structure was synthesized from 2-meth­oxy-6-(pyridin-2-yl-hydrazonometh­yl)-phenol and characterized using micro-analytical and spectroscopic techniques, and single-crystal X-ray diffraction analysis.

Bis[3-(anthracen-9-yl)pentane-2,4-dionato-κ²O,O′](N,N-di­methyl­formamide-κO)[tris­(pyrazol-1-yl-κN²)hydroborato]europium(III)

The title Eu complex, featuring both Anthracac and tris­pyrazolyl­hydro­borato ligands, exhibits an octa­vertex square-pyramidal coordination environment.

A cuboidal [Cu₄(SO₄)₄] structure supported by β-picoline ligands

A cobalt sulfate complex supported by β-picoline ligands produces a unique cuboidal tetra­mer.

The layer silicate Cs₂Sn^IVSi₆O₁₅

The crystal structure of Cs₂SnSi₆O₁₅ shows a klassengleiche group–subgroup relationship of index 2 with Cs₂ZrSi₆O₁₅.

4-[(Benzyl­amino)­carbon­yl]-1-methyl­pyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis

The ability of 4-[(benzyl­amino)­carbon­yl]-1-methyl­pyridinium to form salts with halogenide anions was studied and Hirshfeld surface analysis to identify inter­molecular inter­actions was performed.

Crystal structure and Hirshfeld surface analysis of (Z)-4-{[4-(3-methyl-3-phenyl­cyclo­but­yl)thia­zol-2-yl]amino}-4-oxobut-2-enoic acid

The title compound is a cyclo­butyl compound that adopts a Z configuration. The mol­ecular structure is stabilized by an N—H⋯O hydrogen bond, forming an (7) ring motif. In the crystal, mol­ecules are linked by pairs of O—H⋯N hydrogen bonds, forming supra­molecular ribbons linked via C₁¹(9) ring motifs.

Synthesis, crystal structure and Hirshfeld surface analysis of di­methyl 3-(3-bromo­phen­yl)-6-methyl-7-oxo-3,5,6,7-tetra­hydro­pyrazolo­[1,2-a]pyrazole-1,2-di­carboxyl­ate

In the title compound, one of the fused pyrazole rings adopts an envelope conformation while the other displays a twisted conformation. In the crystal, the mol­ecules are linked by C—H⋯O hydrogen bonds and aromatic π–π inter­actions.

Crystal structure and Hirshfeld surface analysis of (S)-N-methyl-1-phenyl­ethan-1-aminium chloride

Ammonium chlorides, such as the title compound (S)-N-methyl-1-phenyl­ethan-1-amnonium chloride (1), usually represent by-products in amination processes of chloro­silanes. Hirshfeld surface analysis and Hirshfeld atom refinement (HAR) were performed to obtain detailed information about the crystal packing and the exact position of the hydrogen atoms of compound 1.

Crystal structure and Hirshfeld surface analysis of 1-[(benzyl­dimethyl­sil­yl)meth­yl]-1-ethyl­piperidin-1-ium ethane­sulfonate

α-Amino­silanes are distinguished by a long Si—C bond, which was confirmed in the title compound. Additionally, the supra­molecular inter­actions were determined by Hirshfeld surface analysis to investigate the influence of these contacts on the crystal packing.

Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (RS)-trichlorme­thia­zide

The structure of the racemic form of the diuretic drug trichlorme­thia­zide was determined from laboratory X-ray powder diffraction data: the extended structure features an intricate combination of N—H⋯O hydrogen bonds and π–π and C—Cl⋯π inter­actions.

Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol

The mol­ecular and crystal structure of a ferrocenyl derivative with an undecyl-1,11-diol chain on one cyclo­penta­dienyl ring is reported: O—H⋯O, C—H⋯O and C—H⋯π(ring) contacts occur in the extended structure.

Crystal structure of a tri­fluoro­methyl benzoato quadruple-bonded dimolybdenum complex

The quadruple-bond complex, [Mo₂(p-O₂CC₆H₄CF₃)₄·2THF], crystallizes in the triclinic space group P with inter­calated penta­ne/THF lattice solvent mol­ecules. The electron-withdrawing group on the paddlewheel carboxyl­ate together with the axial THF mol­ecules lead to a slight lengthening of the metal–metal bond, as predicted by Cotton.

Crystal structure of a three-dimensional neodymium(III) coordination polymer, [Nd₂(H₂O)₆(glutarato)(SO₄)₂]_n

A three-dimensional coordination polymer, poly[hexa­aqua­(μ₄-glutarato)bis­(μ₃-sulfato)­dineodymium(III))], [Nd₂(H₂O)₆(glutarato)(SO₄)₂]_n (glutarato^2– = C₅H₆O₂^2–), consisting of cationic {Nd₂(H₂O)₆(SO₄)₂}_n²ⁿ⁺ layers linked by glutarate ligands, was synthesized by the microwave-heating technique.

Redetermination of the structure of 2-amino-8-thia-1,5-di­aza­spiro­[4.5]dec-1-en-5-ium chloride monohydrate

The crystal structure of the title compound was redetermined at two temperatures [120.0 (2) and 295.0 (2) K]. The previously reported P2₁2₁2₁ chiral space group is corrected to centrosymmetric Pbca.

Syntheses and crystal structures of 2-(p-tol­yl)-1H-perimidine hemihydrate and 1-methyl-2-(p-tol­yl)-1H-perimidine

N-methyl­ation of the perimidine core results in an increase of the inter­planar angle between the perimidine and aryl rings. The crystal packing of the unsubstituted perimidine is formed by hydrogen bonding and π–π stacking while mol­ecules of its N-substituted analog are assembled by C—H⋯π inter­actions.

Ni^II mol­ecular complex with a tetra­dentate amino­guanidine-derived Schiff base ligand: structural, spectroscopic and electrochemical studies and photoelectric response

Ni^II ions templated the condensation of amino­guanidine with two different aldehyde mol­ecules with the formation of a new mol­ecular nickel(II) complex with a tetra­dentate chelating ligand.

Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-di­phenyl­piperidine

In the title compound, C₂₀H₂₃NO, the piperidine ring adopts a distorted boat conformation, while the phenyl rings subtend a dihedral angle 65.1 (2)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into chains extending along the b-axis direction.

Crystal structures of three N,N,N′-tris­ubstituted thio­ureas for reactivity-controlled nanocrystal synthesis

Crystal structures of three N,N,N′-tris­ubstituted thio­ureas, with varying substitution patterns, for reactivity-controlled nanocrystal synthesis are reported.

An ortho­rhom­bic polymorph of 2-(1,3,5-di­thia­zinan-5-yl)ethanol or MEA-di­thia­zine

The use of the H₂S scavenger mono­ethano­lamine triazine in a natural gas treatment facility produced a new Pbca polymorph (form II) of 2-(1,3,5-di­thia­zinan-5-yl)ethanol featuring O—H⋯N hydrogen-bonded dimers rather than one-dimensional, helical O—H⋯O strands as reported previously for the I4₁/a (form I) polymorph.

Crystal structure and Hirshfeld surface analysis of the hydrated 2:1 adduct of piperazine-1,4-diium 3,5-di­nitro-2-oxidobenzoate and piperazine

In the title adduct, two 3,5-di­nitro­salicylic acid mol­ecules in the dianionic (DNSA²⁻) form, two protonated piperazine-1,4-diium cations (PIP²⁺) and a neutral piperazine mol­ecule (PIP) along with two water mol­ecules are found in the asymmetric unit. The crystal structure of the title adduct is reported, and hydrogen-bonding inter­actions are discussed.

Na₃MgB₃₇Si₉: an icosa­hedral B₁₂ cluster framework containing {Si₈} units

Single crystals of a novel boride silicide, Na₃MgB₃₇Si₉, containing B₁₂ icosa­hedra and Si₈ units were synthesized from Na, B, Si, B₂O₃ and magnesium vapor.

Crystal structure of hexa­sodium tetra­serinolium paratungstate B deca­hydrate, [Na₆{(CH₂OH)₂CHNH₃}₄][W₁₂O₄₀(OH)₂]·10H₂O

The isolation and characterization of an isopolytungstate anion [W₁₂O₄₀(OH)₂]^10– (paradodeca­tungstate B) with sodium and protonated serinol entities [Na₆((CH₂OH)₂CHNH₃)₄]¹⁰⁺ as counter-cations are reported.

The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt

The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)-1H-benzimidazole and of its nitrate salt have been studied. Hirshfeld surfaces and fingerprint plots were generated to investigate the inter­molecular inter­actions.

Crystal structure of poly[[di­aqua­tetra-μ₂-cyanido-platinum(II)iron(II)] methanol 4/3-solvate]: a three-dimensional Hofmann clathrate analogue

The crystal structure of the title polymeric coordination compound, {[FePt(CN)₄(H₂O)₂]·1.33CH₃OH}_n, features a framework structure with pores in which disordered methanol solvent mol­ecules are situated.

Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy­droxy-8-(4-meth­oxyphen­yl)-1,6-di­methyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl­]sulfan­yl}acetic acid ethyl ester

The 4-meth­oxy­phenyl group is disposed on one side of the bicyclic core and the oxygen atoms of the hydroxyl and acetyl groups are disposed on the other. The unsaturated portion of the core adopts an envelope conformation. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds form chains extending along the a-axis direction. These are linked into layers parallel to the ac plane by additional C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-N-phenyl-4-[(E)-2-phenyl­ethen­yl]thieno[2,3-b]pyridine-2-carbox­amide

The asymmetric unit of the title mol­ecule consists of four mol­ecules that differ primarily in the orientations of the styryl and the N-phenyl­carboxamido groups.

5-Amino-1H-benzimidazole-2(3H)-thione: mol­ecular, crystal structure and Hirshfeld surface analysis

The mol­ecular and crystal structures of the anhydrous form of 5-amino-1H-benzimidazole-2(3H)-thione were determined. Hirshfeld surfaces and fingerprint plots were studied.