Oconnoralstrup2695

A Besnus-type transition is also possible in 6C pyrrhotite. Furthermore, it is clarified that 3C and 4C pyrrhotite carry a ferrimagnetic moment whereas 5C and 6C are antiferromagnetic.A convenient one-pot synthesis of 4-aryl-2-methyl-N-phenacylimidazoles (4) through a microwave-assisted pseudo-tricomponent reaction of α-bromoacetophenones (1) with acetamidine hydrochloride (2) is reported. Ketones (4) were successfully used as substrates for the preparation of the respective N-(2-hydroxyethyl)imidazoles (5) with yields up to 87%. The synthesized compounds were characterized by NMR and high-resolution mass spectrometry analyses, and several structures were confirmed and studied by single-crystal X-ray diffraction. The analysis of the whole-of-molecule interactions shows that, despite the difference in the atom-atom contacts forming the crystals, dispersion energies make the largest contribution to the formation of the solids, giving an isotropic tendency in the topology of the energy framework diagrams for pairs of molecules. In addition, the in vitro antifungal activity of both families of compounds [ketones (4) and alcohols (5)] against Candida albicans and Cryptococcus neoformans was evaluated, where the 2,4-dichlorophenyl-substituted alcohol (5f), an isomer of the drug miconazole, showed the highest activity (IC50 = 7.8 µg ml-1 against C. neoformans).Resveratrol (RSV) is one of the most extensively investigated natural polyphenol with potential cardioprotective effects and various biological activities. However, the polymorphism and solvates of RSV cocrystals have not been studied comprehensively. In addition, the relationship between the crystal packing modes and their physicochemical properties of RSV cocrystals remains poorly understood. In this paper, seven novel RSV cocrystals were prepared and characterized by powder X-ray diffraction, single-crystal X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, dynamic vapor sorption, Raman and Fourier transform infrared spectroscopy. Five RSV-4,4'-vinylenedipyridine (DPE) cocrystals were synthesized with polymorphs and solvates, such as RSV-DPE (12) in form (I) [RSV-2DPE form (I)], RSV-DPE (12) in form (II) [RSV-2DPE form (II)], RSV-DPE (11) (RSV-DPE), RSV-DPE (23)·acetone (RSV-1.5DPE·0.5ACE), RSV-DPE (11.5)·MeOH (RSV-1.5DPE·MeOH). However, RSV-4,4'-ethylenedipyridine (BPE) and RSV-4,4'-azobispyridine (AZPY) cocrystals were prepared as their single crystal forms, that is, RSV-BPE (11.5) (RSV-1.5BPE) and RSV-AZPY (12) (RSV-2AZPY). RSV-2DPE form (II) can be transformed from RSV-2DPE form (I) during the heating process from single crystal to single crystal. The physicochemical properties of RSV cocrystals are closely related to their crystal packing modes. Also, the conformation and molecular packing of RSV among different cocrystals is flexible. The solubility of RSV-1.5BPE and RSV-2DPE form (II) exhibit higher than RSV in the buffer solution of pH 4.6 and 2.0, respectively. This study may provide a valuable insight into the crystal packing modes of cocrystals which may affect their physicochemical properties.Three caesium-bearing borophosphates, Cs[BP2O6(OH)2] (I), Cs0.51Mn1.17(H2O)2[BP2O8]·0.45H2O (II) and CsMn[BP2O8(OH)] (III), were synthesized by a hydrothermal method at 473-523 K. Their crystal structures have been studied by means of single-crystal X-ray diffraction; all three structures comprise borophosphate chain anions with a BP ratio of 12. The unique construction of (I) is based on four-membered-ring chains running parallel to the [010] direction. These protonated borophosphate chains are linked via hydrogen-bond interactions to form a 3D framework with caesium cations incorporated. (II) is the first Cs and Mn2+,Mn3+ member of a known family characterized by [BP2O8]∞ helical chains running along [001]. These chains are connected through MnO4(H2O)2 octahedra to form a 3D framework. The caesium cations are disordered over two independent positions in the channels, which they occupy together with water molecules. An additional MnO2(H2O)3 bipyramid statistically shares a common edge and two corners with three main Mn octahedra to form tetrameric clusters. The topological relation between the chain anionic fragments of (I) and (II) as well as the structural relation between (I) and previously studied boro- and berillophosphates are discussed. Compound (III) presents the first Mn member of the AIMIII[BP2O8(OH)] family and is characterized by a 3D framework built by open-branched borophosphate chains and MnO5 semi-octahedra sharing vertices. The measurements of thermodynamic properties, i.e. magnetization M and specific heat Cp, to 2 K and 30 T, provide evidence that (II) orders antiferromagnetically at the Néel temperature TN = 4.6 K and exhibits a plateau-like feature under the action of an external magnetic field accompanied by a pronounced magnetocaloric effect.Ammonium fluoride salts of seven- and eight-coordinated tantalum were grown in the form of well shaped single crystals at different pH of solutions, and their crystal structures were determined by X-ray diffraction. The first one, (NH4)3TaOF6, belongs to elpasolite-type structure (Fm\overline 3m, Z = 4) and is characterized by strong dynamic disorder. Tofacitinib cost The ligand atoms (O and F) are each distributed in three positions (one 24e and two 96j). The tantalum atom is seven-coordinated in the form of a pentagonal bipyramid (PB) and occupies the 4a position without leaving the symmetry center of the polyhedron during its fast reorientation. One of the ammonium groups is tetrahedrally disordered (the nitrogen atom is shifted from the 8c into the 32f site), while the other group in the 4b site forms eight spatial orientations due to disordering of hydrogen atoms in the 96k and 32f positions. Strong dynamic disorder of [TaOF6]3- as a flexible unit is reflected in the IR spectrum at 736 cm-1 and in the 19F MAS NMR spectrum at -51 ppm, indicating a state with synchronous stretching vibrations of Ta-O and Ta-F bonds. Two double ammonium fluoride salts of tantalum, which are formed concomitantly, differ slightly in composition but their crystal structures contain the same polyhedra in the form of a mono-capped trigonal prism (CTP or TPRS-7) and a distorted cube (CU or CU-8) with one vacant vertex. The latter tantalum polyhedron is detected for the first time. The CU polyhedron in one of the modifications of the tantalum double salt splits into two CTPs during a phase transition with decreasing temperature. The presence of oxygen in the compounds is confirmed by vibrational spectroscopy.