Cefiderocol: early clinical experience for multi-drug resistant gram-negative infections.

Multi-drug resistant gram-negative bacteria present a significant global health threat. Cefiderocol (CFDC), a siderophore cephalosporin, has shown potential in combating this threat, but with the currently available data, its role in therapy remains poorly defined. This multi-center, retrospective cohort study evaluated the real-world application of CFDC across six U.

2-Ethyl-4-methyl-1-imidazol-3-ium bromide.

In the title mol-ecular salt, CHN ·Br, the components are linked by N-H⋯Br⋯H-N hydrogen bonds into (8)chains of alternating cations and anions propagating in the -axis direction; these chains are cross-linked in the -axis direction by weak C-H⋯Br hydrogen bonds.

Tetra-methyl-ammonium ()-'-cyano-carbamimidate.

In the structure of the tetra-methyl ammonium salt of cyano-urea, CHN·CHNO, the N-C and O-C bond distances in the cyano and keto groups are in the normal range for such a moieties at 1.1641 (18) and 1.2550 (16) Å.

Surface- and Structural-Dependent Reactivity of Titanium Oxide Nanostructures with 2-Chloroethyl Ethyl Sulfide under Ambient Conditions.

Robust materials capable of heterogeneous reactivity are valuable for addressing toxic chemical clean up. Synthetic manipulations for generating titanium oxide nanomaterials have been utilized to alter both photochemical (1000 nm > λ > 400 nm) and chemical heterogeneous reactivity with 2-chloroethyl ethyl sulfide (2-CEES). Synthesizing TiO nanomaterials in the presence of long-chain alkylphosphonic acids enhanced the visible light-driven oxidation of the thioether sulfur of 2-CEES.

The structures of 1:1 and 1:2 adducts of phosphane-tricarbo-nitrile with 1,4-di-aza-bicyclo[2.2.2]octa-ne.

In the structures of 1:1 and 1:2 adducts of phosphanetricarbo-nitrile (CNP) with 1,4-di-aza-bicyclo-[2.2.2]octane (CHN), the 1:1 adduct crystallizes in the ortho-rhom-bic space group, , with four formula units in the unit cell (' = 0.

Tetra-kis[μ-1,1,1,3,3,3-hexa-fluoro-2-(tri-fluoro-meth-yl)propan-2-olato]tetra-kis-(μ-2-methyl-propan-2-olato)octa-copper(I).

The title compound, [Cu(CHO)(CFO)], crystallizes in the monoclinic space group, 2/ and contains a self-assembly of two CHCuFO units linked by bridging -butyl groups [Cu-O bonds of length 2.3779 (15) and 2.4248 (15) Å], generating a centrosymmetric dimer.

μ-Methyl-ene-bis-[di-bromido(diethyl ether-κ)aluminium(III)]: crystal structure and chemical exchange in solution.

In the title compound, [AlBr(CH)(CHO)], the mol-ecule lies on a crystallographic twofold axis passing through the bridging C atom. Each Al atom is four-coordinate, being bonded to two bromide ions, bridging the CH group as well as the oxygen atom of a diethyl ether ligand in a slightly distorted tetra-hedral arrangement with angles ranging from 101.52 (8) to 116.

The crystal structure of the deca-aluminum alkoxide cluster AlO(OH) ( = 1,1,1,3,3,3-hexa-fluoro-propan-2-olate).

In the title centrosymmetric cluster compound, hexa-kis-(μ-1,1,1,3,3,3-hexa-fluoro-propan-2-olato)octa-kis-(1,1,1,3,3,3-hexa-fluoro-propan-2-olato)octa-μ-hydroxido-di-μ-oxido-di-μ-oxido-deca-aluminium, [Al(CHFO)(OH)O] (CHAlFO), there is a central μ-OAl moiety, which has six edges of which three contain μ()-1,1,1,3,3,3-hexa-fluoro-propan-2-olate () ligands and two contain μ-OH groups each bridging two Al atoms along an edge. The sixth edge is occupied by a group containing a fifth aluminium atom [bis-μ(OH)-, μ(O)-Al]. This last μ(O) group generates a centrosymmetric AlO dimer, thus the μ(O) atom is linked to two Al atoms in the asymmetric unit as well as a third Al atom through a center of inversion.

Synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from 1-methyl-pyrrolidin-2-one.

The title compound, -poly[[tetra-kis-(1-methyl-pyrrolidin-2-one-κ)calcium(II)]-μ-()-1,1'-dimethyl-2,2'-dioxo-1,1',2,2'-tetra-hydro-[3,3'-bipyrrolyl-idene]-5,5'-bis-(thiol-ato)-κ :'], [Ca(CHNOS)(CHNO)] , , crystallizes in the triclinic space group . The crystal studied was twinned by non-merohedry two different twofold operations, about the normals to (001) and (10), giving four twin domains with refined occupancies of 0.412 (4), 0.

Potassium chlorido-tris-(hypersil-oxy)aluminate dimer.

The tris-(tri-methyl-silylsiloxide) ligand, also known as hypersiloxide, is an extremely bulky group. In an attempt to make the monomeric Al(OSi(SiMe)), AlCl was combined with 3 equiv. of potassium hypersiloxide.

Synthesis and Structure of SnCl(CHSiMe): Toward Nanoclusters of 4-Coordinate α-Sn.

Orange crystals of a Sn cluster have been isolated in up to 22% yield from a reaction between MeSiCHSnCl, SnCl, and LiAlH. The structure determined by single crystal X-ray diffraction shows three unique Sn atoms in a 6:6:2 ratio, with all Sn atoms 4-coordinate, similar to the tetrahedral bonding in elemental gray Sn. The solid state Sn MAS NMR spectrum shows the three types of distinct Sn atoms in the expected 3:3:1 intensity ratio with respective chemical shifts of 87.

Tetracyanomethane under Pressure: Extended CN Polymers from Precursors with Built-in sp Centers.

Tetracyanomethane, C(CN), is a tetrahedral molecule containing a central sp carbon that is coordinated by reactive nitrile groups that could potentially transform to an extended CN network with a significant fraction of sp carbon. High-purity C(CN) was synthesized, and its physiochemical behavior was studied using in situ synchrotron angle-dispersive powder X-ray diffraction (PXRD) and Raman and infrared (IR) spectroscopies in a diamond anvil cell (DAC) up to 21 GPa. The pressure dependence of the fundamental vibrational modes associated with the molecular solid was determined, and some low-frequency Raman modes are reported for the first time.

High-pressure phase transition of alkali metal-transition metal deuteride LiPdD.

A combined theoretical and experimental study of lithium palladium deuteride (LiPdD) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of LiPdD transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data.

Pressure-Induced Polymerization of LiN(CN).

The high-pressure behavior of lithium dicyanamide (LiN(CN)) was studied with in situ Raman and infrared (IR) spectroscopies, and synchrotron angle-dispersive powder X-ray diffraction (PXRD) in a diamond anvil cell (DAC) to 22 GPa. The fundamental vibrational modes associated with molecular units were assigned using a combination of experimental data and density functional perturbation theory. Some low-frequency modes were observed for the first time.

Bis(η(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123 K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.

Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium].

The title compound, [K2Fe{OCH(CF3)2}4] n , was formed from the reaction of potassium hexa-fluoro-isopropoxide with iron(II) chloride in toluene. The Fe(II) atom has a highly distorted tetra-hedral coordination environment. All four of the non-equivalent hexa-fluoro-isoprop-oxy O atoms link the Fe(II) atoms to one of the K(+) atoms in an alternating chain of Fe-O-K-O fused four-membered rings, with K-Fe distances of 3.

Di-aqua-bis-(2-ethyl-5-methyl-imidazole-4-sulfonato-κ(2) N (3),O)nickel(II) dihydrate.

In the title complex, [Ni(C6H9N2O3S)2(H2O)2]·2H2O, the Ni(II) atom lies on an inversion center and is chelated by N and O atoms of two symmetry-equivalent imidazole-sulfonate ligands in the basal plane, and two water O atoms in axial positions in an overall octa-hedral configuration. The crystal structure displays O-H⋯O and N-H⋯O hydrogen bonds, which connect the components into an extended three-dimensional network.

Thermodynamic and kinetic stabilities of CO2 oligomers.

Density-functional and coupled cluster calculations suggest that the stability, against unimolecular dissociation, of the cyclic D(3h) trimer of CO2, 1,3,5-trioxetanetrione, is greater than all but one other chemically bound oligomer of CO2. It requires far less energy to produce, on a per CO2 basis, than the low-symmetry cyclic 1,2 dioxetanedione dimer, but its kinetic stability against unimolecular dissociation is much lower. The extreme stability of the dimer, which makes it an excellent intermediate in chemiluminescence, is caused by an extreme range of geometric change to its transition state leading to a trapezoidal potential energy surface.

3,3'-(1-Oxopropane-1,3-di-yl)bis-(1,3-thia-zolidine-2-thione) chloro-benzene hemisolvate.

The title compound, C9H12N2OS4·0.5C6H5Cl, which contains two 1,3-thia-zolidine-2-thione rings, is a by-product of the synthesis of 3-acryloyl-1,3-thia-zolidine-2-thione. The dihedral angle between these rings is 79.

catena-Poly[[(tetra-hydro-furan-κO)potas-sium]-di-μ-dimethyl-amido-κ(4) N:N-aluminium-di-μ-dimethyl-amido-κ(4) N:N-potassium-di-μ-dimethyl-amido-κ(4) N:N-aluminium-di-μ-dimethyl-amido-κ(4) N:N].

The title compound, [Al2K2(C2H6N)8(C4H8O)] n , formed during the sonochemical reaction between Al(NMe2)3 and sodium-potassium alloy in the presence of tetra-hydro-furan (THF). Its asymmetric unit has two inequivalent K(+) sites. One site is coordinated by a THF ligand, and crystallizes as a one-dimensional polymer with a backbone of catenated AlN2K rings.

Triclinic polymorph of bis-(triphenyl-sil-yl) oxide toluene disolvate.

A new polymorph of the title compound, C(36)H(30)OSi(2)·2C(7)H(8), is reported, which is triclinic (P-1) instead of possessing the previously reported rhombohedral symmetry [Hönle et al. (1990). Acta Cryst.

catena-Poly[copper(II)-bis-(μ-2-ethyl-5-methyl-imidazole-4-sulfonato-κN,O:O)].

In the title compound, [Cu(C(6)H(9)N(2)O(3)S)(2)](n), the copper(II) ion sits on an inversion center and is chelated by the imidazole N and sulfonate O atoms of two ligands in equatorial positions. O atoms of adjacent mol-ecules coordinate in the axial positions. Jahn-Teller tetra-gonal distortion is evident in the coordination geometry [Cu-N and Cu-O equatorial distances of 1.

Sulfonated 1,3-bis-(4-pyrid-yl)propane.

In the title compound, 4-[3-(3-sulfonato-pyridin-1-ium-4-yl)prop-yl]pyridin-1-ium-3-sulfonate, C(13)H(14)N(2)O(6)S(2), the mol-ecule is zwitterionic, with the sulfonic acid proton transfered to the basic pyridine N atom. Also, the structure adopts a butterfly-like conformation with the sulfonate groups on opposite sides of the 'wings'. The dihedral angle between the two pyridinium rings is 83.

Electrical and ionic conductivity effects on magic-angle spinning nuclear magnetic resonance parameters of CuI.

We investigate experimentally and theoretically the effects of two different types of conductivity, electrical and ionic, upon magic-angle spinning NMR spectra. The experimental demonstration of these effects involves (63)Cu, (65)Cu, and (127)I variable temperature MAS-NMR experiments on samples of γ-CuI, a Cu(+)-ion conductor at elevated temperatures as well as a wide bandgap semiconductor. We extend previous observations that the chemical shifts depend very strongly upon the square of the spinning-speed as well as the particular sample studied and the magnetic field strength.