Synthesis, crystal structure and reactivity of bis­(μ-2-methyl­pyridine N-oxide-κ²O:O)bis­[di­bromido­(2-methyl­pyridine N-oxide-κO)cobalt(II)] butanol monosolvate

The crystal structure of the title compound consists of dinuclear complexes, in which the Co^II cations are fivefold coordinated and linked by centrosymmetric pairs of μ-1,1(O,O)-bridging 2-methyl­pyridine N-oxide coligands.

Crystal structure of bis­(3-carb­oxy-1-methyl­pyrid­inium) octa­bromide

The structure of the title compound is composed of rare Z-shaped octa­bromide anions embedded within N-methyl­nicotinic acid cations.

Unusual reaction of (E)-2-[(benzo[d]thia­zol-2-yl­imino)­meth­yl]-5-(di­ethyl­amino)­phenol with tri­phenyl­borane: crystal structures and optical properties

The mol­ecular and crystal structure of (E)-2-[(benzo[d]thia­zol-2-yl­imino)­meth­yl]-5-(di­ethyl­amino)­phenol and its reaction product with tri­phenyl­borane are described. In compound Et₂N-Bz, one of the ethyl groups and the benzo­thia­zole ring are disordered over two sets of atomic sites with major occupancy components of 0.822 (5) and 0.843 (2), respectively.

Carbon dioxide capture from air leading to bis­[N-(5-methyl-1H-pyrazol-3-yl-κN²)carbamato-κO]copper(II) tetra­hydrate

A mononuclear square-planar Cu^II complex was synthesized by reacting 5-methyl-3-pyrazolamine and copper(II) acetate in water under ambient conditions. Di­ethano­lamine was added to facilitate carbon dioxide adsorption, creating an alkaline environment. Structural analysis revealed that the complex crystallizes in the P2₁/c space group of the monoclinic crystal system, with the central copper(II) atom in a square-planar coordination environment N₂O₂. Co-crystallized water mol­ecules are present, forming O—H⋯O hydrogen bonds with the Cu^II mononuclear complex. Hirshfeld surface analysis highlighted the importance of various inter­actions, including H⋯O/O⋯H, H⋯C/C⋯H, and H⋯N/N⋯H, in providing crystal structure packing.

Synthesis, crystal structure and Hirshfeld analysis of trans-bis­{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl­idene]hydrazinecarbo­thio­amidato-κ²N¹,S}palladium(II)

The synthesis, crystal structure and Hirshfeld surface analysis of a new Pd^II cinnamaldehyde 4-thio­semicarbazone homoleptic complex is reported. As a result of H⋯S intra­molecular inter­actions, graph-set motif S(5), the coordination sphere resembles a hydrogen-bonded macrocyclic environment-type. In the crystal, the mol­ecules are linked by H⋯S inter­actions, with graph-set motifs (8), forming a mono-periodic hydrogen-bonded polymer along [001].

Synthesis, crystal structure and in vitro anti-proliferative activity of 2-[(4-acetyl­phen­yl)carbamo­yl]phenyl acetate

2-[(4-Acetyl­phen­yl)carbamo­yl]phenyl acetate, a derivative of aspirin, has been structurally characterized revealing a structure based on inter­molecular N—H⋯O hydrogen bonds and π–π inter­actions.

Crystal structure of di­benzyl­ammonium hydrogen (4-amino­phen­yl)arsonate monohydrate

The title salt consists of three components, comprising one di­benzyl­ammonium cation, [(C₆H₅CH₂)₂NH₂]⁺, one hydrogen (4-amino­phen­yl)arsonate anion, [H₂NC₆H₄As(OH)O₂]⁻, and one mol­ecule of water. In the crystal, these components are organized in infinite zigzag chains via inter­molecular hydrogen bonds. Weak inter­actions between the chains lead to a three-dimensional network.

Crystal structure of Cs₂GdNb₆Cl₁₅O₃ in the structural evolution of niobium oxychlorides with octa­hedral Nb₆-cluster units

Cs₂GdNb₆Cl₁₅O₃ is an octa­hedral Nb-cluster compound containing three inner ligands of oxygen atoms. Individual Nb₆ clusters are linked to each other via Gd^III and Cs^I atoms, which exhibit a coordination number of 9 (three O and six Cl ligands) and 12 (twelve Cl ligands).

Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(tert-butyl­dimethyl­sil­yl)-3,6-di­hydro-1λ⁴,2λ⁴-aza­borinine

A modification of a B—Cl 1,2–aza­borinine precursor with anthracenyl lithium generates an air-stable analog of cyclo­hexa­diene. In the crystal packing, van der Waals inter­actions are dominant.

Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations

The structures of five gold complexes involving piperidine or pyrrolidine, either as neutral ligands or protonated counter-cations, are presented.

Synthesis, crystal structure and thermal properties of poly[[μ-1,2-bis­(pyridin-4-yl)ethene-κ²N:N′-μ-bromido-copper(I)] 1,2-bis­(pyridin-4-yl)ethene 0.25-solvate]

In the crystal structure of the title compound, the copper(I) cations are tetra­hededrally coordinated and linked by pairs of bromide anions into dinuclear units that are further connected into layers by the 1,2-bis­(pyridin-4-yl)ethene (4-bpe) coligands. The layers are stacked so that cavities are formed in which disordered 4-bpe mol­ecules are embedded.

Synthesis, crystal structure and Hirshfeld surface analysis of 1-(12-bromo­dodec­yl)indoline-2,3-dione

The pendant dodecyl chain in the title compound adopts an all-trans conformation apart from the gauche terminal C—C—C—Br moiety.

Crystal structure, Hirshfeld surface and crystal void analysis, inter­molecular inter­action energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thia­zin-3(4H)-one 1,1-dioxide

In the title compound, the thia­zine ring exhibits a screw-boat conformation. In the crystal, corrugated layers of mol­ecules parallel to the ab plane are formed by N—H⋯O and C—H⋯O hydrogen bonds together with C—H⋯π(ring) and S=O⋯π(ring) inter­actions. The layers are connected by additional C—H⋯O hydrogen bonds and π-stacking inter­actions.

Crystal structure and supra­molecular features of a bis-urea-functionalized pillar[5]arene

The crystal structure and supra­molecular features are reported of a dimeric bis-urea-functionalized pillar[5]arene macrocycle, which functions as a receptor system to the DMF guest mol­ecule.

Synthesis, crystal structure and Hirshfeld surface analysis of di­acetato­bis­[4-(2-amino­eth­yl)morpholine]cadmium tetra­hydrate

In the title coordination compound, the Cd atom is octa­hedrally coordinated by two N,N′-bidentate ligands [4-(2-amino­eth­yl)morpholine] and two trans-located acetate mol­ecules. The Cd atom is located on a centre of inversion, whereas the morpholine and four water mol­ecules are adjacent to the acetate moieties. In the crystal, neighboring metal complexes and uncoordinated water mol­ecules are linked via N—H⋯O and O—H⋯O hydrogen-bonding inter­actions.

Crystal structure of (μ-hydrogen di­sulfato)-μ-oxido-bis­[(4,4′-di-tert-butyl-2,2′-bi­pyridine)­oxidovanadium(IV/V)] aceto­nitrile monosolvate

The crystal structure of a dinuclear oxidovanadium(IV/V) complex [V₂O₂(μ-O)(μ-H(SO₄)₂)(4,4′-^tBubpy)₂] aceto­nitrile monosolvate has been determined.

Crystal structure and Hirshfeld surface analysis of poly[[tetra­aqua­(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca­aza­tetra­cyclo­[8.8.4.1^3,17.1^8,12]tetra­cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra­hydrate]

The title compound was obtained as a result of a template reaction between oxalohydrazide, formaldehyde and iron(III) chloride in the presence of atmospheric O₂. The complex anion of the title compound reveals clathrochelate topology and includes an Fe^IV metal centre. In the crystal, the complex anions are connected through two Li cations into dimers, which are connected by Li—O bonds, forming infinite chains along the b-axis direction.

Synthesis and crystal structure of bis­(9-mesityl-9,10-di­hydro-10-aza-9-borabenzo[h]quinolinato-κ²N¹,N¹⁰)zinc(II)

The NH-deprotonation of a 10-aza-9-borabenzo[h]quinoline yields a bidentate ligand that was used for the synthesis of a 2:1 coordination complex with zinc. Its crystal packing is dominated by intense intra- and inter­molecular π–π stacking inter­actions.

Synthesis and crystal structures of two solvates of 1-{[2,6-bis­(hy­droxy­meth­yl)-4-methyl­phen­oxy]meth­yl}-3,5-bis­{[(4,6-di­methyl­pyridin-2-yl)amino]meth­yl}-2,4,6-tri­ethyl­benzene

In the crystal structures of the formamide monosolvate (1a) and the n-propanol/water solvate/hydrate (1b), the host mol­ecules adopt similar geometries with an alternating arrangement of the substituents above and below the plane of the central arene ring.

Redetermination of the crystal structure of yttrium chromium tetra­boride, YCrB₄, from single-crystal X-ray diffraction data

The structural parameters of yttrium chromium tetra­boride YCrB₄ were refined based on single-crystal X-ray diffraction data. The present study successfully refined all the positional and atomic displacement parameters of the Y, Cr, and B atoms.

Crystal structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di­hydro­pyridine-3-carbo­nitrile

The structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di­hydro­pyridine-3-carbo­nitrile, prepared by a three-component one-pot reaction, is based on dimers connected by N—H⋯O hydrogen bonds, which also inter­act through π–π contacts.

Crystal structure of 1-(2,6-diiso­propyl­phen­yl)-1H-imidazole

At 106 (2) K, the title mol­ecule has monoclinic P2₁/c symmetry with four mol­ecules in the unit cell. The imidazole ring is rotated 80.7 (1)° relative to the phenyl ring. Inter­molecular stabilization primarily results from close contacts between the N-atom at the 3-position on the imidazole ring and the C—H bond at the 4-position on the neighboring ^DippIm.

Synthesis, crystal structure and Hirshfeld surface analysis of di­aqua­bis­(o-phenyl­enedi­amine-κ²N,N′)nickel(II) naphthalene-1,5-di­sulfonate

In the title salt, [Ni(C₆H₈N₂)₂(H₂O)₂]·(C₁₀H₆O₆S₂), the Ni^II atom exhibits a slightly tetra­gonally distorted {O₂N₄} octa­hedral coordination environment, with two pairs of equatorial Ni—N bonds and a pair of longer axial Ni—O bonds.

Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate

The structure of a 2-methyl-1H-imidazol-3-ium trimesate compound was determined by single-crystal X-ray diffraction. The compound is composed of protonated 2-methyl­imidazole and singly deprotonated trimesic acid mol­ecules.

Synthesis, crystal structure and properties of tetra­kis­(pyridine-3-carbo­nitrile)­dithio­cyanatoiron(II) and of di­aqua­bis­(pyridine-3-carbo­nitrile)­di­thio­cyanatoiron(II) pyridine-3-carbo­nitrile monosolvate

Two complexes, 1 and 2, based on Fe(NCS)₂ and 3-cyano­pyridine as coligand were synthesized, structurally characterized and investigated for their thermal behavior. In both compounds the Fe^II cations are octa­hedrally coordinated by two N-bonded thio­cyanate anions in trans-position as well as four 3-cyano­pyridine coligands for compound 1 and two 3-cyano­pyridine ligands and two water mol­ecules for compound 2. Upon heating, both complexes transform into an inter­mediate with bridging anionic ligands that is isotypic to its Cd(NCS)₂ and Mn(NCS)₂ analogs.

Crystal structure and Hirshfeld surface analysis of bis­(3-amino­pyrazole-κN¹)bis­(3-amino­pyrazole-κN²)bis­(nitrato-κO)copper(II)

The title mol­ecular coordination compound exhibits a central Cu^II atom with a distorted octa­hedral [N₄O₂] coordination environment. The axial positions are occupied by two O atoms from nitrate anions and equatorial positions occupied by pyridine-like N atoms from four 3-amino­pyrazole ligands.

Crystal structure and Hirshfeld surface analysis of tri­aza­triborinotris[1,3,2]benzodi­aza­borole acetone disolvate

The title compound, alternatively known as benzodi­aza­borole trimer, C₁₈H₁₅B₃N₆·2C₃H₆O, at 100 K crystallizes in the triclinic system, space group P. The structure displays N—H⋯O hydrogen bonding connecting the main mol­ecule with the crystallization solvent.