The crystal structures of two salt crystals of 2,2-bis­(4-methyl­phen­yl)hexa­fluoro­propane (Bmphfp) with amines, namely, dipyridinium 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)dibenzoate 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)di­benzoic acid, 2C5H6N+·C17H8F6O42−·C17H10F6O4, (1), and a monohydrated ethyl­enedi­ammonium salt ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)dibenzoate monohydrate, C2H10N22+·C17H8F6O42−·H2O, (2), are reported. Compounds 1 and 2 crystallize, respectively, in space group P21/c with Z' = 2 and in space group Pbca with Z' = 1. The crystals of compound 1 contain neutral and anionic Bmphfp mol­ecules, and form a one-dimensional hydrogen-bonded chain motif. The crystals of compound 2 contain anionic Bmphfp mol­ecules, which form a complex three-dimensional hydrogen-bonded network with the ethyl­enedi­amine and water mol­ecules.

The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3− is salicyl­hydroximate, and DMF is N,N-di­methyl­formamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main mol­ecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each penta­copper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2− is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octa­hedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water mol­ecules of the MnII ion. The water mol­ecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3− ligands of the MCs.

In this paper, the conformational polymorphism of a chlorinated diketo­pyrrolo­pyrrole (DPP) dye having flexible substituents in a non-hydrogen-bonding system is reported. The propyl-substituted DPP derivative (PR3C) has three polymorphic forms, each showing a different colour (red, orange and yellow). All polymorphs could be obtained concomitantly under various crystallization conditions. The results of the crystal structure analysis indicate that PR3C adopts different conformations in each polymorph. The packing effect caused by the difference in the arrangement of neighbouring molecules was found to play an important role in the occurrence of the observed polymorphism. The thermodynamic stability relationship between the three polymorphs was identified by thermal analysis and indicates that the yellow polymorph is the thermally stable form. The results indicate that the yellow form and orange form are enantiotropically related, and the other polymorph is monotropically related to the others.

Synchrotron X-ray diffraction (XRD) measured on the XMaS beamline at the ESRF was used to characterize the alloy composition and crystalline surface corrosion of three copper alloy Tudor artefacts recovered from the undersea wreck of King Henry VIII's warship the Mary Rose. The XRD method adopted has a dynamic range ∼1:105 and allows reflections <0.002% of the height of major reflections in the pattern to be discerned above the background without smoothing. Laboratory XRD, scanning electron microscopy–energy dispersive spectroscopy, synchrotron X-ray fluorescence and X-ray excited optical luminescence–X-ray near-edge absorption structure were used as supporting techniques, and the combination revealed structural and compositional features of importance to both archaeology and conservation. The artefacts were brass links believed to be fragments of chainmail and were excavated from the seabed during 1981 and 1982. Their condition reflects very different treatment just after recovery, viz. complete cleaning and conservation, chemical corrosion inhibition and chloride removal only, and distilled water soaking only (to remove the chlorides). The brass composition has been determined for all three at least in the top 7 µm or so as Cu(73%)Zn(27%) from the lattice constant. Measurement of the peak widths showed significant differences in the crystallite size and microstrain between the three samples. All of the links are found to be almost chloride-free with the main corrosion products being spertiniite, sphalerite, zincite, covellite and chalcocite. The balance of corrosion products between the links reflects the conservation treatment applied to one and points to different corrosion environments for the other two.

The solvent-mediated desolvation process of newly discovered lenvatinib DMSO solvate to form II at different water volume fractions and temperatures was investigated. It is confirmed that the activity of water is the most important factor affecting the desolvation process: the desolvation process only occurs when the activity of water is greater than the activity of DMSO, and one new mechanism of solvent-mediated desolvation process was proposed.

The synthesis, characterization and study of structures from a series of bi­phenyls substituted at positions 3, 3', 4 and 4' with groups connected to the bi­phenyl core through oxygen atoms are presented here. The molecular conformation is extensively studied both in the solid as well as in the liquid state, and the effect of different actors (such as packing and chain length) on the torsion angle between aromatic rings is analyzed.

A new ZnII metallocryptand is presented, with an unprecedented diflexure helix.

The asymmetric unit of the title compound contains two independent mol­ecules, consisting of perimidine and phenol units, which are linked through an N—H⋯O hydrogen bond. Intra­molecular O—H⋯N hydrogen bonds are observed in both independent mol­ecules.

The title compound, 1-(2,5-di­meth­oxy­phen­yl)-2,2,6,6-tetra­methyl­piperidine, was synthesized as a side-product during the synthesis of the inter­mediate, methyl 3,6-dimeth­oxy-2-(2-meth­oxy-2-oxoeth­yl)benzoate, necessary for the total synthesis of the isocoumarin 5,8-dimeth­oxy-3-methyl-1H-isochromen-1-one.

The dihedral angle between the two aromatic rings of the title compound is 64.12 (14)°. The crystal structure is stabilized by a short Cl⋯H contact, C—Cl⋯π and van der Waals inter­actions.

The crystal structure of tri­phenyl­methanol, C19H16O, has been redetermined using data collected at 295 and 153 K, and is compared to the model published by Ferguson et al. over 25 years ago [Ferguson et al. (1992). Acta Cryst. C48, 1272–1275] and that published by Serrano-González et al., using neutron and X-ray diffraction data [Serrano-González et al. (1999). J. Phys. Chem. B, 103, 6215–6223]. As predicted by these authors, the hy­droxy groups are involved in weak inter­molecular hydrogen bonds in the crystal, forming tetra­hedral tetra­­mers based on the two independent mol­ecules in the asymmetric unit, one of which is placed on the threefold symmetry axis of the Roverline{3} space group. However, the reliable determination of the hy­droxy H-atom positions is difficult to achieve, for two reasons. Firstly, a positional disorder affects the full asymmetric unit, which is split over two sets of positions, with occupancy factors of ca 0.74 and 0.26. Secondly, all hy­droxy H atoms are further disordered, either by symmetry, or through a positional disorder in the case of parts placed in general positions. We show that the correct description of the hydrogen-bonding scheme is possible only if diffraction data are collected at low temperature. The pro­chiral character of the hydrogen-bonded tetra­meric supra­molecular clusters leads to enanti­omorphic three-dimensional graphs in each tetra­mer. The crystal is thus a racemic mixture of supS and supR motifs, consistent with the centro­symmetric nature of the Roverline{3} space group.

A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB mol­ecules with DMSO mol­ecules between, accepting I⋯O halogen bonds from two TFDIB mol­ecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO mol­ecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO mol­ecules showing four distinct disorder com­ponents, corresponding to an overlay of the 297 and 120 K structures. Assessment of the inter­molecular inter­action energies using the PIXEL method indicates that the various orientations of the DMSO mol­ecules have very similar total inter­action energies with the molecules of the TFDIB framework. The phase transformation is driven by inter­actions between DMSO mol­ecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing inter­actions between neighbouring DMSO mol­ecules, which lock in an ordered arrangement along the shortened a axis.

Dr. Anthony Fauci steps out of the West Wing for a briefing on the novel coronavirus in the Rose Garden of the White House in March.; Credit: Mandel Ngan/AFP via Getty Images

The White House will not allow the leading immunologist on the coronavirus task force to testify to Congress next week, calling the request "counter-productive" to the administration's efforts to contain the virus.

Dr. Anthony Fauci's testimony had been requested by the House Appropriations Committee, as part of an investigation into the White House response to the COVID-19 pandemic.

A committee spokesman on Friday said the White House had blocked the doctor from appearing before the panel.

"The Appropriations Committee sought Dr. Anthony Fauci as a witness at next week's Labor-HHS-Education Subcommittee hearing on COVID-19 response. We have been informed by an administration official that the White House has blocked Dr. Fauci from testifying," spokesman Evan Hollander said in a statement.

Fauci has become one of the most well recognized experts in the administration's coronavirus response team, often speaking publicly during task force briefings, and at times, seeming to contradict statements made by President Trump.

"While the Trump Administration continues its whole-of-government response to COVID-19, including safely opening up America again and expediting vaccine development, it is counter-productive to have the very individuals involved in those efforts appearing at Congressional hearings. We are committed to working with Congress to offer testimony at the appropriate time," White House spokesman Judd Deere said in a statement.

This content is from Southern California Public Radio. View the original story at SCPR.org.

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