A one-dimensional manganese(III)–porphyrin coordination polymer: crystal structure and photophysical properties

A novel one-dimensional coordination polymer was synthesized from manganese(III) and 5,10,15,20-tetra­kis­(pyridin-3-yl)-21H,23H-porphine. The chains are further connected through C—H⋯Cl inter­actions, forming a two-dimensional network. This polymer shows a red photoluminescence that originates from ligand-to-ligand charge transfer (LLCT) with partial metal-to-ligand charge transfer (MLCT), as revealed by TDDFT theoretical calculations.

Structures and photophysical properties of two luminescent bi­pyridine com­pounds: 2′,6′-di­fluoro-6-[3-(pyridin-2-yl­oxy)phen­yl]-2,3′-bi­pyridine and 2′,6′-dimeth­oxy-6-[3-(pyridin-2-yl­oxy)phen­yl]-2,3′-bi­pyridine

Two 2,3′-bi­pyridine derivatives have been synthesized and their structures characterized by single-crystal X-ray diffraction. Their photophysical properties show that both com­pounds have a large triplet energy and can act as potentials host materials in OLED applications.

Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole–vanillic acid cocrystal: insights from energy frameworks

The crystal structure of the tinidazole–vanillic acid cocrystal is reported. The energy framework analysis, together with inter­action energy calculations, indicates that the cocrystal inherits strong inter­actions from the individual components, which accounts for the enhanced thermal stability and reduced dissolution rate.

3D semicon­ducting Co–MOFs based on 5-(hy­droxy­meth­yl)isophthalic acid and imidazole derivatives: syntheses and crystal structures

Two 3D Co–MOFs were synthesized from 5-(hy­droxy­meth­yl)isophthalic acid and rigid auxiliary ligands under similar hydro­thermal reaction con­ditions. UV–Vis spectra and Mott–Schottky measurements further con­firmed that the two com­plexes are typical n-type semicon­ductors.

Synthesis, decom­position studies and crystal structure of a three-dimensional CuCN network structure with protonated N-methyl­ethano­lamine as the guest cation

The crystal structure is reported of a three-dimensional anionic Cu^ICN network with noncoordinated protonated N-methyl­ethano­lamine cations providing charge neutrality. Pairs of cuprophilic Cu atoms are bridged by μ₃-cyanide groups which link these units into 4₃ spirals along the c axis, and these are linked together by other cyanide groups. On heating the com­pound to 280 °C, a CuCN residue is formed, while further heating leaves a residue of elemental copper, isolated as the oxide.

Tuning of crystallization method and ligand con­formation to give a mononuclear com­pound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand

Reactions between the new bis-pyridyl bis-amide ligand 5-methyl-N,N′-bis­(pyridin-4-yl)benzene-1,3-dicarboxamide and Fe(NCS)₂ were carried out under slow evaporation or diffusion conditions, leading to two homometallic com­plexes with a mononuclear and a 2D sheet structure, respectively.

A 2D coordination polymer assembled from a nickel(II) tetra­aza­macrocyclic cation and 4,4′-(di­methyl­silanedi­yl)diphthalate(3–) linker

A new two-dimensional (2D) coordination polymer based on the macrocyclic nickel(II) building unit Ni(cyclam)²⁺ (cyclam is 1,4,8,11-tetra­aza­cyclo­tetra­decane) and 4,4′-(di­methyl­silanedi­yl)diphthalic acid possesses a lamellar structure. In the absence of methanol, the reaction leads to an essentially different product, as supported by PXRD, thermogravimetric analysis and diffuse reflectance spectroscopy.

Sodium sulfite hepta­hydrate and its relation to sodium carbonate hepta­hydrate

The crystal structure of Na₂SO₃(H₂O)₇ shows close structural similarities with Na₂CO₃(H₂O)₇, though the two hepta­hydrates belong to different crystal systems (monoclinic and ortho­rhom­bic, respectively) and contain anions with different shapes.

Synthesis of N-substituted 3-(2-aryl-2-oxoeth­yl)-3-hy­droxy­indolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxo­ethyl­idene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hy­droxy com­pounds and five oxo­ethyl­idene products

Ten novel 3-(2-aryl-2-oxoeth­yl)-3-hy­droxy­indolin-2-ones have been synthesized, mostly in excellent yield, and characterized spectroscopically, and nine of these have been dehydrated to the corresponding (E)-3-(2-aryl-2-oxo­ethyl­idene)indolin-2-ones, also in excellent yield, and again characterized spectroscopically. The structures of four of the former and five of the latter are reported, and all show different patterns of supra­molecular assembly.

Conversion of 3-amino-4-aryl­amino-1H-iso­chromen-1-ones to 1-aryl­iso­chromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative

An efficient synthesis of 1-aryl­isochromeno[3,4-d][1,2,3]triazol-5(1H)-ones is reported, along with the structures of four examples and the structure of a ring-opened transesterification product.

Electron diffraction study of the space group of Bi₅Ti₃FeO₁₅ multiferroic ceramic

Electron diffraction investigations were performed for the first time to unambiguously clarify the space group of the multiferroic ceramic Bi₅Ti₃FeO₁₅ at room temperature. The present study has confirmed that the space group of Bi₅Ti₃FeO₁₅ ceramic is A2₁am rather than Fmm2 or Pnn2, which was a challenge for X-ray diffraction.

Ditopic halogen bonding with bi­pyrimidines and activated pyrimidines

The role of activated pyrimidines and bi­pyrimidines as ditopic halogen-bond acceptors is demonstrated.

Impact of the anion and chalcogen on the crystal structure and properties of 4,6-di­methyl-2-pyrimido(thio)­nium halides

Seven new 4,6-dimethyl-2-pyrimido(thio)­nium halides were synthesized and characterized. In the discussion, they are com­pared to three chloride derivatives described previously in the literature. In these ten com­pounds, hydrogen-bond patterns form chains, ribbons or layers. Four com­pounds exhibit luminescent properties.

Two new zinc(II) and mercury(II) com­plexes based on N,N′-(cyclo­hexane-1,2-diyl­idene)bis­(4-fluoro­benzo­hydrazide): synthesis, crystal structures and antibacterial activities

The shapes and geometries of the Zn^II and Hg^II com­plexes of N,N′-(cyclo­hexane-1,2-diyl­idene)bis­(4-fluoro­benzo­hydrazide) are quite different. The com­plexes have the ability to act as anti­microbial agents against some bacterial strains.

Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexa­hydro­pyrrolo­[1,2-a]pyrimidin-6(1H)-ones

8a-Aryl­hexa­hydro­pyrrolo­[1,2-a]pyrimidin-6(1H)-ones are bicyclic mol­ecules consisting of two portions, namely hexa­hydro­pyrimidine and pyrrolidone rings, together with homologous aromatic substituents. Hirshfeld surface analysis revealed the absence of π–π stacking inter­actions and gave an insight into the architecture of the crystals.

Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin

The crystal structure of the important bioactive flavonoid Oroxylin A (6-meth­oxy­chrysin) is reported for the first time and com­pared to those of its regioisomers Negletein and Wogonin. The latter crystallizes as a monohydrate from ethanol or as a sesquihydrate from di­chloro­methane or methanol.

A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine

An extended version of the widely used quinoline-based 2-(pyridin-4-yl)quinoline-4-carb­oxy­lic acid ligand was employed to test the impact of an additional pyridyl coordination site on the formation of a copper(II) com­plex.

Crystallization of metastable monoclinic carnallite, KCl·MgCl₂·6H₂O: missing structural link in the carnallite family

The previously unknown monoclinic form of potassium carnallite, KCl·MgCl₂·6H₂O, was found as a metastable phase occurring during crystallization studies of potash salt solutions.

7-Iodo-5-aza-7-de­azaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization

7-Iodo-5-aza-7-de­aza­guanosine represents a base-modified nucleoside with an entirely different recognition pattern as the parent purine com­pound. It shows an anti conformation at the glycosylic bond and an N conformation (O4′-endo) for the ribose moiety. Packing is controlled by hydrogen bonds and by a 7-iodo contact to 2′-oxygen of the ribose moiety.

Polymorphism and phase transformation in the di­methyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene

The dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene is polymorphic; one polymorph undergoes a phase transformation on cooling, associated with re-orientation of the dimethyl sulfoxide mol­ecules.