N,N-Dimethyl-N-propyl­propan-1-aminium chloride monohydrate

The title compound, C8H20N+·Cl−·H2O, has been prepared by a simple one-pot synthesis route followed by anion exchange using resin. In the crystal structure, the cations are packed in such a way that channels exist parallel to the b axis. These channels are filled by the anions and water mol­ecules, which inter­act via O—H⋯Cl hydrogen bonds [O⋯Cl = 3.285 (3) and 3.239 (3) Å] to form helical chains. The cations are involved in weak inter­molecular C—H⋯Cl and C—H⋯O hydrogen bonds. The title compound is not isomorphous with the bromo or iodo analogues

1,1,4,4-Tetra­methyl­piperazinediium dibromide

A small quantity of the title compound, C8H20N2 2+·2Br−, was formed as a by-product in a reaction between a diamine and an alkyl bromide. The asymmetric unit contains half of a centrosymmetric dication and a bromide anion. In the crystal, weak inter­molecular C—H⋯Br hydrogen bonds consolidate the crystal packing

Development of iron oxide/activated carbon nanoparticle composite for the removal of Cr(VI), Cu(II) and Cd(II) ions from aqueous solution

Iron oxide (Fe3O4) and iron oxide/activated carbon (Fe3O4/AC) were fabricated by co-precipitation method for the removal of Cr(VI), Cu(II) and Cd(II) ions from aqueous solution in batch mode. These nanoparticles were characterized by BET, FTIR, XRD, SEM/TEM and VSM. The optimum conditions for the removal of ions were pH = 2 for Cr(VI) and 6 for Cu(II) and Cd (II), initial metal ion concentration = 50 mg L-1, nanoparticle dose = 50 mg/10 mL, temperature = 25 +/- 1 degrees C, shaking speed = 180 rpm and contact time = 3 h. The equilibrium data of ions sorption were well described by Langmuir, Freundlich, Redlich-Peterson and Intraparticle Diffusion model. The R-2 values obtained by Langmuir model were highest by Fe3O4/AC for Cr(VI) = 0.9994, Cu(II) = 0.9998 and Cd(II) = 0.9750. The temperature dependent study in the range of 288-328 K confirmed that the adsorption process was endothermic in nature. Desorption studies with 0.1M HCl stated that these nanoparticles can be regenerated effectively and can be used after four adsorption-desorption cycles without any mass loss.Peer reviewe

3α-Hydr­oxy-N-(3-hydroxy­prop­yl)-5β-cholan-24-amide

The title compound, C27H47NO3, is a (3-hydroxy­prop­yl)amide derivative of naturally occurring enanti­opure lithocholic acid (3α-hydr­oxy-5β-cholan-24-oic acid). The mol­ecule contains four fused rings: three six-membered rings in chair conformations and one five-membered ring in a half-chair form. The two terminal six-membered rings are cis-fused, while other rings are trans-fused. The structure contains an intra­molecular O—H⋯O hydrogen bond and a similar hydrogen-bond framework to the corresponding deoxy­cholic and chenodeoxy­cholic acid derivatives. Inter­molecular O—H⋯O and N—H⋯O inter­actions are also present in the crystal. This compound seems to have at least two polymorphic forms from a comparison of the X-ray powder pattern simulated from the present structure of the title compound and that previously obtained for the powder sample

Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers

Understanding the mechanism by which advanced materials assemble is essential for the design of new materials with desired properties. Here, we report a method to form chiral, potentially porous materials through spontaneous resolution of conformers of a PCP pincer palladium complex ({; ; 2, 6-bis[(di-t-butylphosphino)methyl]phenyl}; ; palladium(II)halide). The crystallisation is controlled by weak hydrogen bonding giving rise to chiral qtz-nets and channel structures, as shown by 16 such crystal structures for X = Cl, and Br with various solvents like pentane and bromobutane. The fourth ligand (in addition to the pincer ligand) on palladium plays a crucial role ; the chloride and the bromide primarily form hexagonal crystals with large 1D channels, whereas the iodide (presumably due to its inferior hydrogen bonding capacity) forms monoclinic crystals without channels. The hexagonal channels are completely hydrophobic and filled with disordered solvent molecules. Upon heating loss of solvent occurs and the hexagonal crystals transform into other non-porous polymorphs. Also by introducing strong acid, the crystallisation process can be directed to a different course, giving several different non-porous polymorphs. In conclusion a number of rules can be formulated dictating the formation of hexagonal channel structures based on pincer palladium complexes. Such rules are important for a rational design of future self-assembling materials with applications in storage and molecular recognition

Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate

Herein, we present the crystallographic dataset of 1,2,4-dithiazolium tetrafluoroborate. Single crystal X-ray structural analysis evidences that the 1,2,4-dithiazolium ring is almost planar. The 1,2,4-dithiazolium and tetrafluoroborate ions contribute in hydrogen bonding wherein the N-H·N hydrogen bonding in 1,2,4-dithiazolium dimer forms an eight-membered pseudo ring with the R 2 2 ( 8 ) Etter's graph set. The information provided in this data contributes to the understanding of structural chemistry and hydrogen bonding interactions in dithiazole derivatives.© 2022 The Author(s).</p

Series of Near-IR-Absorbing Transition Metal Complexes with Redox Active Ligands

New soluble and intensely near-IR-absorbing transition metal (Ti, Zr, V, Ni) complexes were synthesized using a redox non-innocent N,N'-bis(3,5-di-tertbutyl-2-hydroxy-phenyl) -1,2-phenylenediamine (H4L) as a ligand precursor. In all the complexes, ([Ti(L-ox)(2), [Zr(L-ox)(2)], [V(L-sq1)(HLox)] and [Ni(HLox)(2)], two organic molecules coordinate to the metal center as tri- or tetradentate ligands. The solid-state structures of the complexes were determined using single crystal XRD, and the compounds were further characterized with Electrospray Ionisation Mass Spectrometry (ESI-MS). Thermoanalytical measurements indicated the thermal stabilities of the complexes. All compounds absorb strongly in the near-IR region and show very interesting magnetic and electrochemical properties. Moreover, it was shown that the V and Ni complexes can also convert absorbed near-IR photons to (un)paired electrons, which indicates great promise in photovoltaic applications

High-Generation Amphiphilic Janus-Dendrimers as Stabilizing Agents for Drug Suspensions

Pharmaceutical nanosuspensions are formed when drug crystals are suspended in aqueous media in the presence of stabilizers. This technology offers a convenient way to enhance the dissolution of poorly water-soluble drug compounds. The stabilizers exert their action through electrostatic or steric interactions, however, the molecular requirements of stabilizing agents have not been studied extensively. Here, four structurally related amphiphilic Janus-dendrimers were synthesized and screened to determine the roles of different macromolecular domains on the stabilization of drug crystals. Physical interaction and nanomilling experiments have substantiated that Janus-dendrimers with fourth generation hydro- philic dendrons were superior to third generation analogues and Poloxamer 188 in stabilizing indomethacin suspensions. Contact angle and surface plasmon resonance measurements support the hypothesis that Janus-dendrimers bind to indomethacin surfaces via hydrophobic interactions and that the number of hydrophobic alkyl tails determines the adsorption kinetics of the Janus-dendrimers. The results showed that amphiphilic Janus-dendrimers adsorb onto drug particles and thus can be used to provide steric stabilization against aggregation and recrystallization. The modular synthetic route for new amphiphilic Janus-dendrimers offers, thus, for the first time a versatile platform for stable general-use stabilizing agents of drug suspensions.Peer reviewe

N-{4-[(3-Methyl­phen­yl)sulfamo­yl]phen­yl}benzamide

In the title compound, C20H18N2O3S, the dihedral angle between the central benzene ring and the amide group is 24.1 (3)° and that between this ring and the aromatic ring of the tolyl group is 68.2 (16)°. In the crystal, adjacent mol­ecules are linked by N—H⋯O hydrogen bonds into a linear chain running along [100]. Weak C—H⋯O contacts also occur. Extensive weak π–π inter­actions exist from both face-to-face and face-to-edge inter­actions occur between the aromatic rings [centroid–centroid distances = 3.612 (2) and 4.843 (2) Å]